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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.59 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.59 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.53 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.53 |
| ▸ | GABRP known ✓ | O00591 | 2/20 | 0.44 |
| ▸ | GABRD known ✓ | O14764 | 2/20 | 0.44 |
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.44 |
| ▸ | GABRB1 known ✓ | P18505 | 2/20 | 0.44 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 known ✓ | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 known ✓ | P47869 | 2/20 | 0.44 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.44 |
| ▸ | GABRA4 known ✓ | P48169 | 2/20 | 0.44 |
| ▸ | GABRE known ✓ | P78334 | 2/20 | 0.44 |
| ▸ | GABRA6 known ✓ | Q16445 | 2/20 | 0.44 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 2/20 | 0.44 |
| ▸ | GABRG3 known ✓ | Q99928 | 2/20 | 0.44 |
| ▸ | GABRQ known ✓ | Q9UN88 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2323573 | 0.98 | ALDH1A1 (0.61) | MEN1KMT2ATDP1MAPTRECQL | |
| SCHEMBL29783490 | 0.98 | ALDH1A1 (0.61) | MEN1KMT2ATDP1MAPTRECQL | |
| Acetamide SCHEMBL27554773 | 0.92 | ALDH1A1 (0.55) | MEN1KMT2ATDP1MAPTRECQL | |
| SCHEMBL2892591 | 0.89 | ALDH1A1 (0.52) | MEN1KMT2ATDP1MAPTRECQL | |
| Hydrochloric Acid SCHEMBL10592050 | 0.83 | MAPT (0.59) | MEN1KMT2ATDP1MAPTRECQL | |
| SCHEMBL2314690 | 0.81 | ALDH1A1 (0.50) | MEN1KMT2ATDP1MAPTRECQL | |
| SCHEMBL99201 | 0.81 | ALDH1A1 (0.61) | MEN1KMT2ATDP1MAPTRECQL | |
| SCHEMBL328278 | 0.81 | CASP1 (0.50) | MEN1KMT2ATDP1MAPTRECQL | |
| SCHEMBL6866812 | 0.81 | MCL1 (0.49) | MEN1KMT2ATDP1MAPTRECQL | |
| SCHEMBL27825872 | 0.79 | ALDH1A1 (0.44) | MEN1KMT2ATDP1MAPTRECQL |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7671053-B2 | Benzamide inhibitors of the P2X7 receptor | PFIZER, INC. (US) | 2010-03-02 | — | — | US | disclosed |
| US-20090042886-A1 | Benzamide Inhibitors of the P2X7 Receptor | PFIZER, INC. (US) | 2009-02-12 | — | — | US | disclosed |
| US-7407956-B2 | Benzamide inhibitors of the P2X7 receptor | PFIZER, INC. (US) | 2008-08-05 | — | — | US | disclosed |
| US-20070281939-A1 | Benzamide Inhibitors of The P2X7 Receptor | PFIZER INC. | 2007-12-06 | — | — | US | disclosed |
| EP-1763353-A1 | COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X<sb>7</sb> RECEPTOR | Warner-Lambert Company LLC (US) | 2007-03-21 | — | — | EP | disclosed |
| US-7176202-B2 | Benzamide inhibitors of the P2X7 receptor | PFIZER INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20060040939-A1 | Benzamide inhibitors of the P2X, receptor | DOMBROSKI MARK A | 2006-02-23 | — | — | US | 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 |
| 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-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 (5 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-20090042886-A1 | Benzamide Inhibitors of the P2X7 Receptor | IL1R1, P2RY1, P2RX1 | PTGS2 519/4885KDR 1159/4885GAA 2696/4885 |
| 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 | PTGS2 166/4885KDR 1082/4885GAA 3089/4885 |
| US-20060018904-A1 | Combination therapies utilizing benzamide inhibitors of the P2X7 receptor | CSF3R, CSF1R, IL1R1 | PTGS2 408/4885KDR 1016/4885GAA 2992/4885 |
| US-20070281939-A1 | Benzamide Inhibitors of The P2X7 Receptor | IL1R1, P2RY1, P2RX1 | PTGS2 519/4885KDR 1159/4885GAA 2696/4885 |
| US-20060040939-A1 | Benzamide inhibitors of the P2X, receptor | IL1R1, P2RX1, P2RX3 | PTGS2 240/4885KDR 1078/4885GAA 2800/4885 |
“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.