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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.54 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.54 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.54 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.45 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.45 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA3 | P07451 | 3/20 | 0.54 |
| ▸ | CA4 | P22748 | 3/20 | 0.54 |
| ▸ | CA6 | P23280 | 3/20 | 0.54 |
| ▸ | CA5A | P35218 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8477054 | 0.97 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL26836 | 0.97 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8746207 | 0.97 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| Water SCHEMBL11037456 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8714706 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6913648 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| Fluoride SCHEMBL11757338 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6908827 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6908111 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8720147 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 |
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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4902730-A | Fibre reinforced polyphenylene sulphide | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-20 | — | — | US | claimed |
| US-4880576-A | HALOGENATION OF ACIDS, FORMAMIDE CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-11-14 | — | — | US | claimed |
| CN-108129454-B | A kind of benzenesulfonamides and its preparing the application in anti-influenza A virus medicament | 武汉大学 | 2019-09-17 | — | — | CN | disclosed |
| CN-106232584-B | As 6 inhibitor of histone deacetylase new compound and include its pharmaceutical composition | 株式会社钟根堂 | 2019-06-28 | — | — | CN | disclosed |
| CN-109715629-A | AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES | 诺华股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-106103439-B | 2,7- diaza spiro [3.5] nonane compound | 瑞敏德股份有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-105143206-B | Pyrimidine -2,4- diamine derivative for treating cancer | 托马斯·黑勒戴药物研究基金会 | 2019-01-15 | — | — | CN | disclosed |
| CN-108129454-A | A kind of benzenesulfonamides and its application in anti-influenza A virus medicament is prepared | 武汉大学 | 2018-06-08 | — | — | CN | disclosed |
| CN-104936593-B | Oxytocin receptor agonists for the treatment of CNS disorders | 霍夫曼-拉罗奇有限公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-108026102-A | Available for treatment and the compound of the relevant illnesss of KIT and PDGFR | 蓝印药品公司 | 2018-05-11 | — | — | CN | disclosed |
| US-4113872-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS | BAKER AKTIENGESELLSHAFT (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4112109-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |
| US-4099011-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-04 | — | — | US | disclosed |
| US-4096152-A | DIURETICS, SALURETICS, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-20 | — | — | US | disclosed |
| US-4069334-A | DIURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-01-17 | — | — | US | disclosed |
| US-4060549-A | Process for preparing sulfonic acid fluorides | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |
| US-4002641-A | DIURETICS, SALURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |
| US-3994873-A | Azo dyestuffs containing sulfonylamino-sulfonyl groups | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-30 | — | — | US | disclosed |
| US-3945992-A | DISAZO DYES FOR POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |