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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 4/20 | 0.51 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.44 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.42 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.42 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.42 |
| ▸ | CDK4 known ✓ | P11802 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.44 |
| ▸ | NPY4R | P50391 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
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 SCHEMBL28144485 | 1.00 | NOTUM (0.63) | NOTUMTSHRRAB9AL3MBTL1PARP1 | |
| Hydrochloric Acid SCHEMBL28843911 | 0.98 | NOTUM (0.61) | NOTUMTSHRRAB9AL3MBTL1PARP1 | |
| SCHEMBL3649822 | 0.98 | NOTUM (0.66) | NOTUMTSHRRAB9AL3MBTL1PARP1 | |
| SCHEMBL29370778 | 0.98 | NOTUM (0.66) | NOTUMTSHRRAB9AL3MBTL1PARP1 | |
| Isopropyl Alcohol SCHEMBL11540475 | 0.89 | NOTUM (0.61) | NOTUMTSHRRAB9AL3MBTL1PARP1 | |
| SCHEMBL29195129 | 0.88 | NOTUM (0.59) | NOTUMTSHRRAB9AL3MBTL1PARP1 | |
| Succinic Acid SCHEMBL28136128 | 0.88 | TSHR (0.56) | NOTUMTSHRRAB9AL3MBTL1PARP1 | |
| Hydrochloric Acid SCHEMBL20610213 | 0.86 | TSHR (0.67) | NOTUMTSHRRAB9AL3MBTL1LMNA | |
| SCHEMBL931955 | 0.83 | TSHR (0.69) | NOTUMTSHRRAB9AL3MBTL1LMNA | |
| SCHEMBL29453277 | 0.83 | TSHR (0.69) | NOTUMTSHRRAB9AL3MBTL1LMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104540806-B | Azaheterocycles as BIR2 and/or BIR3 inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-05-03 | — | — | CN | claimed |
| CN-115667218-A | Kinase inhibitors | GB005股份有限公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-105452241-B | Carboxamides derivatives of ((base of pyrimidine 4) epoxide) 1H indoles 1 and application thereof | 诺华股份有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-104540806-B | Azaheterocycles as BIR2 and/or BIR3 inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-05-03 | — | — | CN | disclosed |
| EP-2997022-A1 | PYRIMIDIN-4-YL)OXY)-1H-INDOLE-1-CARBOXAMIDE DERIVATIVES AND USE THEREOF | Novartis AG (CH) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184778-A1 | PYRIMIDIN-4-YL)OXY)-1H-INDOLE-1-CARBOXAMIDE DERIVATIVES AND USE THEREOF | NOVARTIS AG (CH) | 2014-11-20 | — | — | WO | disclosed |
| CN-100376579-C | 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino [4, 5-b ] indole-1-carboxamide derivatives, preparation and therapeutic use thereof | SANOFI AVENTIS (FR) | 2008-03-26 | — | — | CN | disclosed |
| CN-1616425-A | Noval benzoindoline compounds,their preparing method and pharmaceutical composition containing them | SERVIER LAB (FR) | 2005-05-18 | — | — | CN | disclosed |
| CN-1604898-A | 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino [4, 5-b ] indole-1-carboxamide derivatives, preparation and therapeutic use thereof | SANOFI AVENTIS (FR) | 2005-04-06 | — | — | CN | disclosed |
| CN-1446813-A | Novel dihydric indole compound, their prepn. process and medicinal compsns. contg.them | SEVOIERE LAB (FR) | 2003-10-08 | — | — | CN | disclosed |