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 | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.49 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.49 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.49 |
| ▸ | EGFR known ✓ | P00533 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 4/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29597600 | 0.98 | POLB (0.67) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL486303 | 0.98 | POLB (0.67) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL2268149 | 0.82 | HCAR2 (0.48) | POLBHCAR2KDM4EHTTALOX15 | |
| Hydrochloric Acid SCHEMBL30444355 | 0.81 | HCAR2 (0.96) | POLBHCAR2KDM4EHTTALOX15 | |
| Hydrochloric Acid SCHEMBL9407495 | 0.81 | HCAR2 (0.96) | POLBHCAR2KDM4EHTTALOX15 | |
| Hydrochloric Acid SCHEMBL6525205 | 0.81 | HCAR2 (0.96) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL22569116 | 0.80 | HTT (0.78) | POLBHCAR2KDM4EHTTALOX15 | |
| Hydrochloric Acid SCHEMBL31575651 | 0.79 | POLB (0.64) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL28801075 | 0.78 | POLB (0.69) | POLBHCAR2KDM4EHTTALOX15 | |
| SCHEMBL112388 | 0.78 | HCAR2 (1.00) | POLBHCAR2KDM4EHTTALOX15 |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181139-B | Synthesis method of 5-halogenated nicotinic acid | 四川仁安药业有限责任公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114181139-A | Synthetic method of 5-halogenated nicotinic acid | 四川仁安药业有限责任公司 | 2022-03-15 | — | — | CN | disclosed |
| US-8629137-B2 | CGRP antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-20130029975-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-31 | — | — | US | disclosed |
| US-20110059954-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-10 | — | — | US | disclosed |
| US-7834049-B2 | Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20100267754-A1 | INTEGRIN EXPRESSION INHIBITOR | WAKABAYASHI TOSHIAKI | 2010-10-21 | — | — | US | disclosed |
| US-20050176712-A1 | Integrin expression inhibitor | EISAI CO., LTD. | 2005-08-11 | — | — | US | disclosed |
| US-20040018192-A1 | Integrin expression inhibitors | EISAI CO., LTD. (JP) | 2004-01-29 | — | — | US | disclosed |
| EP-1258252-A1 | INTEGRIN EXPRESSION INHIBITORS | Eisai Co., Ltd. (JP) | 2002-11-20 | — | — | EP | disclosed |
| WO-1994014806-A1 | SEROTONINERGIC ERGOLINE DERIVATIVES | FARMITALIA CARLO ERBA S.R.L. (IT) | 1994-07-07 | — | — | WO | disclosed |
| EP-0382380-B1 | PYRIDINIUM NITRATE, ITS PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-09-01 | — | — | EP | disclosed |
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4981860-A | ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-01-01 | — | — | US | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0382380-A1 | Pyridinium Nitrate, its production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-08-16 | — | — | EP | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |
| US-4644004-A | Pyridynecarboxylic esters of dopamine and of its N-alkyl derivatives | SIMES S.P.A. (IT) | 1987-02-17 | — | — | US | disclosed |
| EP-0101633-B1 | PYRIDINECARBOXYLIC ESTERS OF DOPAMINE AND OF ITS N-ALKYL DERIVATIVES | Simes S.p.A. (IT) | 1986-12-03 | — | — | EP | disclosed |
| EP-0101633-A1 | Pyridinecarboxylic esters of dopamine and of its N-alkyl derivatives | Simes S.p.A. (IT) | 1984-02-29 | — | — | 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 (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-20110059954-A1 | CGRP ANTAGONISTS | CALCRL, CALCR, CALCA | ROCK2 4534/4885GAA 3559/4885ROCK1 4211/4885 |
| US-20050176712-A1 | Integrin expression inhibitor | ITGB5, ITGB1, ITGB2 | ROCK2 2924/4885GAA 4822/4885ROCK1 2608/4885 |
| US-20130029975-A1 | CGRP ANTAGONISTS | CALCRL, CALCR, CALCA | ROCK2 4534/4885GAA 3559/4885ROCK1 4211/4885 |
| US-20100267754-A1 | INTEGRIN EXPRESSION INHIBITOR | ITGB5, ITGB1, ITGB2 | ROCK2 2924/4885GAA 4822/4885ROCK1 2608/4885 |
| US-20040018192-A1 | Integrin expression inhibitors | ITGB1, ITGB4, ITGB5 | ROCK2 2996/4885GAA 4676/4885ROCK1 2491/4885 |
“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.