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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.39 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2531556 | 0.98 | NOTUM (0.47) | NOTUMGRM5MPONLRP3KDM4E | |
| Hydrochloric Acid SCHEMBL6006151 | 0.77 | NOTUM (0.55) | NOTUMGRM5MPOKDM4EALDH1A1 | |
| SCHEMBL17765079 | 0.76 | NOTUM (0.56) | NOTUMGRM5KDM4EALDH1A1MAPK1 | |
| SCHEMBL29394011 | 0.76 | NOTUM (0.56) | NOTUMGRM5KDM4EALDH1A1MAPK1 | |
| SCHEMBL27824275 | 0.76 | GRM5 (0.48) | NOTUMGRM5KDM4EALDH1A1MAPK1 | |
| SCHEMBL2377719 | 0.76 | NOTUM (0.47) | NOTUMGRM5MPOKDM4EALDH1A1 | |
| SCHEMBL2028222 | 0.76 | GRM5 (0.51) | NOTUMGRM5NLRP3KDM4EALDH1A1 | |
| SCHEMBL20888381 | 0.76 | KMT2A (0.45) | NOTUMGRM5MPONLRP3KDM4E | |
| SCHEMBL5934873 | 0.74 | NOTUM (0.57) | NOTUMGRM5MPOKDM4EALDH1A1 | |
| SCHEMBL521666 | 0.74 | MAPT (0.52) | NOTUMMPONLRP3KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9938261-B2 | Heterocyclic compounds and methods of use thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2018-04-10 | — | — | US | disclosed |
| EP-2766359-B9 | HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES | AMBIT BIOSCIENCES CORP (US) | 2017-04-05 | — | — | EP | disclosed |
| US-20160362405-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP (US) | 2016-12-15 | — | — | US | disclosed |
| US-9452167-B2 | Heterocyclic compounds and methods of use thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2016-09-27 | — | — | US | disclosed |
| EP-2766359-B1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES | AMBIT BIOSCIENCES CORP (US) | 2016-04-13 | — | — | EP | disclosed |
| US-20150196566-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2015-07-16 | — | — | US | disclosed |
| US-8952058-B2 | Heterocyclic compounds and methods of use thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2015-02-10 | — | — | US | disclosed |
| EP-2766359-A2 | HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES | Ambit Biosciences Corporation (US) | 2014-08-20 | — | — | EP | disclosed |
| US-20130096113-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2013-04-18 | — | — | US | disclosed |
| WO-2013056070-A2 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2013-04-18 | — | — | WO | 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 (3 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-20160362405-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | FLT3, PDGFRB, PDGFRA | GAA 780/4885CHRNA7 2891/4885NOTUM 4365/4885 |
| US-20130096113-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | FLT3, PDGFRB, PDGFRA | GAA 780/4885CHRNA7 2891/4885NOTUM 4365/4885 |
| US-20150196566-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | FLT3, PDGFRB, PDGFRA | GAA 780/4885CHRNA7 2891/4885NOTUM 4365/4885 |
“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.