Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.31 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.31 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12483735 | 1.00 | USP2 (0.39) | USP2TSHRALDH1A1LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL8788527 | 1.00 | USP2 (0.39) | USP2TSHRALDH1A1LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL57599 | 1.00 | USP2 (0.39) | USP2TSHRALDH1A1LMNACYP1A2 | |
| SCHEMBL17288070 | 0.97 | TSHR (0.41) | USP2TSHRALDH1A1LMNACYP1A2 | |
| SCHEMBL56742 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL3198552 | 0.97 | — | — | |
| SCHEMBL3043105 | 0.97 | TSHR (0.41) | USP2TSHRALDH1A1LMNACYP1A2 | |
| SCHEMBL30087352 | 0.97 | TSHR (0.41) | USP2TSHRALDH1A1LMNACYP1A2 | |
| SCHEMBL491716 | 0.97 | TSHR (0.41) | USP2TSHRALDH1A1LMNACYP1A2 | |
| SCHEMBL944236 | 0.94 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3174877-B1 | INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2022-06-29 | — | — | EP | disclosed |
| CN-107207476-B | Indole and azaindole derivatives and their use in neurodegenerative diseases | 默克专利有限公司 | 2021-03-19 | — | — | CN | disclosed |
| US-10676433-B2 | Indole derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2020-06-09 | — | — | US | disclosed |
| CN-107001356-B | Indoli zine derivatives for neurodegenerative disorders | 默克专利有限公司 | 2019-09-03 | — | — | CN | disclosed |
| US-10323000-B2 | Indole derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2019-06-18 | — | — | US | disclosed |
| US-20190161447-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2019-05-30 | — | — | US | disclosed |
| US-9931324-B2 | Indolizine derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2018-04-03 | — | — | US | disclosed |
| EP-3233841-A1 | INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | Merck Patent GmbH (DE) | 2017-10-25 | — | — | EP | disclosed |
| CN-107207476-A | Indoles and 7-azaindole derivatives and its for the purposes in neurodegenerative disorders | 默克专利有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-107001356-A | Indoli zine derivatives for neurodegenerative disorders | 默克专利有限公司 | 2017-08-01 | — | — | CN | disclosed |
| US-20060018904-A1 | Combination therapies utilizing benzamide inhibitors of the P2X7 receptor | WARNER-LAMBERT COMPANY LLC | 2006-01-26 | — | — | US | disclosed |
| WO-2006003517-A1 | COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR | WARNER-LAMBERT COMPANY LLC (US) | 2006-01-12 | — | — | WO | disclosed |
| WO-2006003513-A1 | METHOD FOR PREPARING 5-`4-(2-HYDROXY-ETHYL)-3,5-DIOXO-4,5-DIHYDRO-3H-`1,2,4!-TRIAZIN-2-YL!BENZAMIDE DERIVATIVES WITH P2X7 INHIBITING ACTIVITY BY REACTION OF THE DERIVATIVE UNSUBSTITUTED IN 4-POSITION OF THE TRIAZINE WITH AN OXIRAN IN THE PRESENCE OF A LEWIS ACID | PFIZER PRODUCTS INC. (US) | 2006-01-12 | — | — | WO | disclosed |
| US-20050288288-A1 | Methods for preparing P2X7 inhibitors | PFIZER INC. | 2005-12-29 | — | — | US | disclosed |
| US-6974812-B2 | Benzamide inhibitors of the P2X7 Ereceptor | PFIZER INC. (US) | 2005-12-13 | — | — | US | disclosed |
| EP-1581232-A1 | 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | Pfizer Products Inc. (US) | 2005-10-05 | — | — | EP | disclosed |
| US-20050009900-A1 | Benzamide inhibitors of the P2X7 receptor | ZOETIS LLC | 2005-01-13 | — | — | US | disclosed |
| WO-2004099146-A1 | BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR | PFIZER PRODUCTS INC. (US) | 2004-11-18 | — | — | WO | disclosed |
| US-20040180894-A1 | such as 2-chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-hydroxy-3-methoxy-propyl)-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl]-benzamide; purinergic receptors (P2x7 E); for treatment of interleukin-1 associated disorders (rheumatoid arthritis) | PFIZER INC. | 2004-09-16 | — | — | US | disclosed |
| WO-2004058270-A1 | 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | PFIZER PRODUCTS INC. (US) | 2004-07-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10323000-B2 | Indole derivatives and their use in neurodegenerative diseases | P2RX3, ADORA2A, P2RX7 | CACNA2D1 1819/4885SLC6A3 57/4885SLC6A4 49/4885 |
| US-20190161447-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | P2RX3, P2RX7, P2RX2 | CACNA2D1 1520/4885SLC6A3 59/4885SLC6A4 43/4885 |
| US-20040180894-A1 | such as 2-chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-hydroxy-3-methoxy-propyl)-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl]-benzamide; purinergic receptors (P2x7 E); for treatment of interleukin-1 associated disorders (rheumatoid arthritis) | IL1R1, P2RY1, P2RX7 | CACNA2D1 2095/4885SLC6A3 4406/4885SLC6A4 3635/4885 |
| US-10676433-B2 | Indole derivatives and their use in neurodegenerative diseases | P2RX3, ADORA2A, P2RX7 | CACNA2D1 1819/4885SLC6A3 57/4885SLC6A4 49/4885 |
| US-20060018904-A1 | Combination therapies utilizing benzamide inhibitors of the P2X7 receptor | CSF3R, CSF1R, IL1R1 | CACNA2D1 2391/4885SLC6A3 2160/4885SLC6A4 2901/4885 |
| US-20050009900-A1 | Benzamide inhibitors of the P2X7 receptor | IL1R1, P2RY1, P2RX1 | CACNA2D1 1242/4885SLC6A3 3962/4885SLC6A4 3462/4885 |
| US-20050288288-A1 | Methods for preparing P2X7 inhibitors | P2RX7, P2RX1, P2RX2 | CACNA2D1 1266/4885SLC6A3 997/4885SLC6A4 801/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.