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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.70 |
| ▸ | HTR7 known ✓ | P34969 | 3/20 | 0.70 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.64 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 2/20 | 0.57 |
| ▸ | HTR3B known ✓ | O95264 | 2/20 | 0.57 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.57 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.57 |
| ▸ | HTR3D known ✓ | Q70Z44 | 2/20 | 0.57 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 2/20 | 0.57 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.57 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.57 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.57 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.57 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.57 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.50 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL519878 | 0.98 | HTR1A (0.72) | HTR1AHTR7ADRB1SIRT6MAPT | |
| SCHEMBL2232414 | 0.93 | HTR1A (0.65) | HTR1AHTR7ADRB1SIRT6MAPT | |
| SCHEMBL27906471 | 0.89 | HTR1A (0.60) | HTR1AHTR7ADRB1SIRT6MAPT | |
| Tert-Butyl Formate SCHEMBL28024441 | 0.85 | HTR1A (0.56) | HTR1AHTR7ADRB1SIRT6MAPT | |
| SCHEMBL533010 | 0.83 | MAPT (0.66) | MAPTKDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL15272176 | 0.83 | MAPT (0.66) | HTR1AHTR7MAPTKDM4EMEN1 | |
| SCHEMBL2648360 | 0.82 | MAPT (0.64) | MAPTKDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL20557972 | 0.82 | MAPT (0.64) | MAPTKDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL2627249 | 0.82 | MAPT (0.69) | HTR7MAPTKDM4EMEN1KMT2A | |
| SCHEMBL519767 | 0.82 | HTR7 (0.53) | HTR1AHTR7ADRB1SIRT6MAPT |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4053106-A1 | ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE | Digmbio. Inc. (KR) | 2022-09-07 | — | — | EP | disclosed |
| CN-114929673-A | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient | 多临生物株式会社 | 2022-08-19 | — | — | CN | disclosed |
| CN-114213415-A | Macrocyclic pyrimidine derivatives | 詹森药业有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-106164075-B | Macrocyclic pyrimidine derivatives | 詹森药业有限公司 | 2021-11-26 | — | — | CN | disclosed |
| US-10017509-B2 | Macrocylic pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2018-07-10 | — | — | US | disclosed |
| EP-3126364-B1 | MACROCYLIC PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2018-02-07 | — | — | EP | disclosed |
| EP-3126364-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | Janssen Pharmaceutica, N.V. (BE) | 2017-02-08 | — | — | EP | disclosed |
| US-20170022202-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2017-01-26 | — | — | US | disclosed |
| CN-102459258-B | Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives | CEPHALON, INC. (US) | 2015-11-25 | — | — | CN | disclosed |
| WO-2015150555-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-08 | — | — | WO | disclosed |
| WO-2009070516-A1 | IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2009-06-04 | — | — | WO | disclosed |
| US-20090137549-A1 | Novel compounds useful for the treatment of degenerative & inflamatory diseases | GALAPAGOS NV (BE) | 2009-05-28 | — | — | US | disclosed |
| WO-2009019472-A1 | 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS | PROSARIX LIMITED (GB) | 2009-02-12 | — | — | WO | disclosed |
| WO-2008055959-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-05-15 | — | — | WO | disclosed |
| US-7176199-B2 | Aryl-substituted alicyclic compound and medical composition comprising the same | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2007-02-13 | — | — | US | disclosed |
| US-20040106622-A1 | Aryl-substituted alicylic compound and medical composition comprising the same | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-06-03 | — | — | US | disclosed |
| EP-1371646-A1 | ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME | Dainippon Pharmaceutical Co., Ltd. (JP) | 2003-12-17 | — | — | EP | disclosed |
| US-5358948-A | Psychological, nervous system disorders | GLAXCO GROUP LIMITED (GB) | 1994-10-25 | — | — | US | disclosed |
| WO-1993006084-A1 | BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 1993-04-01 | — | — | WO | disclosed |
| EP-0533267-A1 | Benzanilide derivatives as 5-HT1D antagonists | GLAXO GROUP LIMITED (GB) | 1993-03-24 | — | — | EP | 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 (4 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-20170022202-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | EEF2K, VPS26B, VPS28 | HTR1A 3985/4885HTR7 3889/4885ADRB1 3496/4885 |
| US-20090137549-A1 | Novel compounds useful for the treatment of degenerative & inflamatory diseases | PDE4A, PDE7B, PDE4B | HTR1A 1725/4885HTR7 4594/4885ADRB1 1091/4885 |
| US-10017509-B2 | Macrocylic pyrimidine derivatives | EEF2K, VPS26B, VPS28 | HTR1A 3985/4885HTR7 3889/4885ADRB1 3496/4885 |
| US-20040106622-A1 | Aryl-substituted alicylic compound and medical composition comprising the same | ITGB3, ITGB1, ITGAL | HTR1A 1313/4885HTR7 945/4885ADRB1 70/4885 |
“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.