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 | 10/20 | 0.96 |
| ▸ | PARP10 | Q53GL7 | 12/20 | 0.96 |
| ▸ | PARP11 | Q9NR21 | 8/20 | 0.96 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.96 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.57 |
| ▸ | TUBB | P07437 | 1/20 | 0.57 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.57 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.57 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.57 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.57 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.57 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.57 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.57 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.57 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.57 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.57 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.57 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.57 |
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 SCHEMBL29896921 | 1.00 | PARP10 (0.96) | PARP10PARP1PARP11PDPK1CA12 | |
| SCHEMBL29369705 | 0.98 | PARP10 (1.00) | PARP10PARP1PARP11PDPK1CA12 | |
| SCHEMBL67710 | 0.98 | PARP10 (1.00) | PARP10PARP1PARP11PDPK1CA12 | |
| Piperazine SCHEMBL28321362 | 0.92 | PARP10 (0.89) | PARP10PARP1PARP11PDPK1CA12 | |
| SCHEMBL1894080 | 0.86 | PARP10 (0.78) | PARP10PARP1PARP11PDPK1CA12 | |
| SCHEMBL29752161 | 0.84 | PARP10 (0.75) | PARP10PARP1PARP11PDPK1CA12 | |
| SCHEMBL20076060 | 0.84 | PARP10 (0.75) | PARP10PARP1PARP11PDPK1CA12 | |
| Trifluoroacetic Acid SCHEMBL28415123 | 0.83 | PARP10 (0.72) | PARP10PARP1PARP11PDPK1CA12 | |
| SCHEMBL28691391 | 0.81 | PARP1 (0.68) | PARP10PARP1PARP11PDPK1CA12 | |
| SCHEMBL30114663 | 0.79 | PARP10 (0.67) | PARP10PARP1PARP11PDPK1CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113748104-B | Isoquinolinones for inhibiting SSAO/VAP-1 and application thereof | 广东东阳光药业股份有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-117412959-A | Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof | 爱彼特生物制药公司 | 2024-01-16 | — | — | CN | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |