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 | 0.41 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.41 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.41 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.41 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.41 |
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.41 |
| ▸ | CSF1R known ✓ | P07333 | 1/20 | 0.41 |
| ▸ | FGFR1 known ✓ | P11362 | 1/20 | 0.41 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.41 |
| ▸ | FGFR3 known ✓ | P22607 | 1/20 | 0.41 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.41 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.41 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.41 |
| ▸ | PRKCZ known ✓ | Q05513 | 1/20 | 0.41 |
| ▸ | ITK known ✓ | Q08881 | 1/20 | 0.41 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.41 |
| ▸ | NTRK3 known ✓ | Q16288 | 1/20 | 0.41 |
| ▸ | NTRK2 known ✓ | Q16620 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 12/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL397707 | 0.71 | HPGD (0.45) | GRM2CHEK2NCOA1NCOA3 | |
| SCHEMBL5063415 | 0.70 | HPGD (0.44) | GRM2CHEK2NCOA1NCOA3 | |
| SCHEMBL13153580 | 0.69 | GUSB (0.70) | CHEK2MAPK1 | |
| SCHEMBL4088326 | 0.69 | CHEK2 (0.44) | CHEK2CHEK1PDPK1LCKPKN2 | |
| SCHEMBL4718800 | 0.69 | CHEK2 (0.50) | CHEK2CHEK1PKN2 | |
| SCHEMBL397507 | 0.67 | KDM4E (0.51) | — | |
| SCHEMBL17318363 | 0.66 | CYP1A2 (0.49) | GRM2 | |
| SCHEMBL19133994 | 0.65 | CDC7 (0.70) | CHEK2CHEK1CDC7PLK4AURKA | |
| SCHEMBL3184009 | 0.65 | GRM2 (0.81) | GRM2 | |
| SCHEMBL1180188 | 0.64 | NPC1 (0.47) | MAPK1DYRK1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1989203-A2 | ALPHA CARBOLINES AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007097981-A2 | ALPHA CARBOLINES AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-08-30 | — | — | WO | disclosed |