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 | |
|---|---|---|---|---|
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.49 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.49 |
| ▸ | MAPK14 known ✓ | Q16539 | 1/20 | 0.49 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.45 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.42 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.42 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
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 SCHEMBL28230152 | 1.00 | LCK (0.49) | LCKKDRJAK3MAPK14PDPK1 | |
| Hydrochloric Acid SCHEMBL29486326 | 1.00 | LCK (0.49) | LCKKDRJAK3MAPK14PDPK1 | |
| Hydrochloric Acid SCHEMBL17237902 | 0.98 | LCK (0.47) | LCKKDRJAK3MAPK14PDPK1 | |
| SCHEMBL29509257 | 0.98 | LCK (0.50) | LCKKDRJAK3MAPK14PDPK1 | |
| SCHEMBL41506 | 0.98 | LCK (0.50) | LCKKDRJAK3MAPK14PDPK1 | |
| Piperazine SCHEMBL4796334 | 0.86 | LCK (0.43) | LCKKDRJAK3MAPK14PDPK1 | |
| Biphenyl SCHEMBL28889831 | 0.83 | ADORA2A (0.51) | LCKKDRJAK3MAPK14EGFR | |
| SCHEMBL29109657 | 0.82 | METAP2 (0.46) | LCKKDRJAK3MAPK14PDPK1 | |
| Trifluoroacetic Acid SCHEMBL28209915 | 0.80 | ADORA3 (0.40) | LCKKDRJAK3MAPK14DCPS | |
| SCHEMBL28018342 | 0.79 | GRM4 (0.51) | LCKKDRJAK3MAPK14KDM4E |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555588-B | Quinazoline compounds as AXL inhibitors | 南京正大天晴制药有限公司 | 2024-08-06 | — | — | CN | disclosed |
| CN-112110918-B | Spiro substituted pyrimido cyclic compounds, process for their preparation and their use in medicine | 劲方医药科技(上海)有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-114423765-A | Isoxazole [5,4-H ] quinazoline compounds as protein kinase inhibitors | 成都赛璟生物医药科技有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-112110918-A | Spiro-substituted pyrimido-cyclic compounds, preparation method and medical application thereof | 劲方医药科技(上海)有限公司 | 2020-12-22 | — | — | CN | disclosed |
| CN-103333125-B | A kind of preparation method of quinazoline amine hydrochloride stable polymorphic substance | YANGTZE RIVER PHARMACEUTICAL CO., LTD. (CN) | 2015-11-11 | — | — | CN | disclosed |
| CN-103333125-B | A kind of preparation method of quinazoline amine hydrochloride stable polymorphic substance | YANGTZE RIVER PHARMACEUTICAL CO., LTD. (CN) | 2015-11-11 | — | — | CN | disclosed |
| CN-103333125-B | A kind of preparation method of quinazoline amine hydrochloride stable polymorphic substance | YANGTZE RIVER PHARMACEUTICAL CO., LTD. (CN) | 2015-11-11 | — | — | CN | disclosed |
| CN-103333125-A | Method for preparing quinazoline amine hydrochloride stable polymorphic substance | YANGTZE RIVER PHARM GROUP CO | 2013-10-02 | — | — | CN | disclosed |
| CN-103333125-A | Method for preparing quinazoline amine hydrochloride stable polymorphic substance | YANGTZE RIVER PHARM GROUP CO | 2013-10-02 | — | — | CN | disclosed |
| WO-2010078421-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| EP-1682143-A2 | COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | Pharmacia Corporation (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005041879-A2 | COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |
| EP-1420747-A2 | BENZOQUINONE ANSAMYCINS | Kosan Biosciences, Inc. (US) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003013430-A2 | BENZOQUINONE ANSAMYCINS | KOSAN BIOSCIENCES, INC. (US) | 2003-02-20 | — | — | WO | disclosed |
| US-5885996-A | AN ENZYME INHIBITORS OF THYMIDYLATE SYNTHASE WORKS AS BACTERICIDES, FUNGICIDES INHIBITING YEASTS, FUNGI | AGOURON PHARMACEUTICALS, INC. (US) | 1999-03-23 | — | — | US | disclosed |
| US-5707992-A | MICROBIOCIDES, ANTITUMOR AGENTS | AGOURON PHARMACEUTICALS, INC. (US) | 1998-01-13 | — | — | US | disclosed |
| US-5430148-A | Antiproliferative quinazolines | AGOURON PHARMACEUTICALS, INC. (US) | 1995-07-04 | — | — | US | disclosed |
| EP-0637300-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993020055-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-10-14 | — | — | WO | disclosed |