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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 6/20 | 0.96 |
| ▸ | PDGFRB known ✓ | P09619 | 2/20 | 0.54 |
| ▸ | PDGFRA known ✓ | P16234 | 2/20 | 0.54 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.50 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.45 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.45 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.45 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3372138 | 0.98 | EGFR (1.00) | EGFRPDGFRBPDGFRAFGFR4ALDH1A1 | |
| Biphenyl SCHEMBL28023494 | 0.91 | EGFR (0.79) | EGFRPDGFRBPDGFRAFGFR4ALDH1A1 | |
| SCHEMBL30513751 | 0.86 | EGFR (0.78) | EGFRPDGFRBPDGFRAFGFR4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28023744 | 0.86 | EGFR (0.96) | EGFRPDGFRBPDGFRAALDH1A1NPC1 | |
| SCHEMBL28158032 | 0.85 | EGFR (0.76) | EGFRPDGFRBPDGFRAFGFR4KMT2A | |
| SCHEMBL29517021 | 0.84 | EGFR (1.00) | EGFRPDGFRBPDGFRAALDH1A1NPC1 | |
| SCHEMBL668493 | 0.84 | EGFR (1.00) | EGFRPDGFRBPDGFRAALDH1A1NPC1 | |
| SCHEMBL30241125 | 0.84 | EGFR (1.00) | EGFRPDGFRBPDGFRAALDH1A1NPC1 | |
| SCHEMBL7804848 | 0.81 | EGFR (0.68) | EGFRPDGFRBPDGFRAFGFR4ALDH1A1 | |
| SCHEMBL28243443 | 0.81 | EGFR (0.70) | EGFRFGFR4ALDH1A1HPGDNPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103483276-B | Preparation method of vandetanib impurity | 南京恒道医药科技有限公司 | 2018-04-17 | — | — | CN | claimed |
| CN-106349228-B | Substituted quianzolinones and its preparation method and application | 广东东阳光药业有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-106749269-B | Octahydro pyrrolo- [3,4-c] azole derivatives and application thereof | 广东东阳光药业有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-108558828-A | The preparation method of tyrosine kinase inhibitor Vande Thani and its key intermediate | 盐城师范学院 | 2018-09-21 | — | — | CN | disclosed |
| CN-105949203-B | Octahydro pyrrolo- [3,4-c] azole derivatives and its application method and purposes | 广东东阳光药业有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-103237801-B | Quinoline or quinazoline derivatives having apoptosis-inducing activity on cells | HANMI HOLDINGS Co.,Ltd. (KR) | 2015-11-25 | — | — | CN | disclosed |
| CN-101090899-B | 2,5 and 2,6 disubstituted benzazole analogs useful as protein kinase inhibitors | 4SC Corp. (DE) | 2015-09-09 | — | — | CN | disclosed |