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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.54 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 SCHEMBL14977817 | 1.00 | ADRB2 (0.54) | ADRB2ALOX5PDE2AMAOACYP2A6 | |
| Hydrochloric Acid SCHEMBL9900692 | 1.00 | ADRB2 (0.54) | ADRB2ALOX5PDE2AMAOACYP2A6 | |
| SCHEMBL116807 | 0.97 | ADRB2 (0.56) | ADRB2ALOX5PDE2AMAOACYP2A6 | |
| SCHEMBL352653 | 0.97 | ADRB2 (0.56) | ADRB2ALOX5PDE2AMAOACYP2A6 | |
| SCHEMBL256802 | 0.97 | ADRB2 (0.56) | ADRB2ALOX5PDE2AMAOACYP2A6 | |
| Bromide SCHEMBL25277530 | 0.95 | ADRB2 (0.54) | ADRB2ALOX5PDE2AMAOACYP2A6 | |
| Iodide SCHEMBL29177617 | 0.95 | ADRB2 (0.54) | ADRB2ALOX5PDE2AMAOACYP2A6 | |
| Hexane SCHEMBL11623547 | 0.84 | ADRB2 (0.45) | ADRB2ALOX5PDE2AMAOAHTR2A | |
| SCHEMBL1314596 | 0.83 | ADRB2 (0.72) | ADRB2PDE2AALDH1A1ALOX15ROCK2 | |
| Hydrochloric Acid SCHEMBL28673897 | 0.78 | ADRB2 (0.67) | ADRB2PDE2AALDH1A1NOS1ROCK2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114524810-B | Pyrimidine heterocyclic compounds, preparation method and application | 上海凌达生物医药有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-114524810-A | Pyrimidine heterocyclic compound, preparation method and application | 上海凌达生物医药有限公司 | 2022-05-24 | — | — | CN | disclosed |
| EP-1031569-B1 | SALT OF A 7-ISOINDOLINEQUINOLONECARBOXYLIC ACID DERIVATIVE, MONOHYDRATE THEREOF AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT | TOYAMA CHEMICAL CO LTD (JP) | 2010-03-17 | — | — | EP | disclosed |
| US-7371868-B2 | Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient | TOYAMA CHEMICAL CO., LTD. (JP) | 2008-05-13 | — | — | US | disclosed |
| US-20070225506-A1 | PROCESSES FOR PRODUCING 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE AND ITS INTERMEDIATE, AS WELL AS SALT OF 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE, ITS HYDRATE AND COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT | TOYAMA CHEMICAL CO., LTD. (JP) | 2007-09-27 | — | — | US | disclosed |
| US-20050203301-A1 | Processes for producing 7-isoindoline-quinolone carboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient | TOYAMA CHEMICAL CO., LTD. (JP) | 2005-09-15 | — | — | US | disclosed |
| US-6482835-B2 | SUCH AS (R)-1-CYCLOPROPYL-8-DIFLUOROMETHOXY-7-(1-METHYL-2,3-DIHYDRO-1H-5-ISOINDOLYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYL IC ACID METHANESULFONATE; CHEMICAL INTERMEDIATES; BACTERICIDES; CATALYSIS | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-11-19 | — | — | US | disclosed |
| US-20020049328-A1 | Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-04-25 | — | — | US | disclosed |
| US-6337399-B1 | CONDENSATION OF ISOINDOLE WITH BORATE GROUP WITH QUINOLONE CARBOXYLIC ACID | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-01-08 | — | — | US | disclosed |
| EP-1031569-A1 | PROCESSES FOR PRODUCING 7-ISOINDOLINEQUINOLONECARBOXYLIC DERIVATIVES AND INTERMEDIATES THEREFOR, SALTS OF 7-ISOINDOLINEQUINOLONECARBOXYLIC ACIDS, HYDRATES THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT | TOYAMA CHEMICAL CO., LTD. (JP) | 2000-08-30 | — | — | EP | disclosed |
| US-4129580-A | Resolution of certain asymmetric primary amines using lasalocid | HOFFMANN-LA ROCHE INC. (US) | 1978-12-12 | — | — | US | 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-20020049328-A1 | Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient | BRD7, IMPDH1, DDT | ADRB2 1117/4885MAOA 805/4885HTR2A 3646/4885 |
| US-20050203301-A1 | Processes for producing 7-isoindoline-quinolone carboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient | KCNQ2, CYP4X1, HAAO | ADRB2 490/4885MAOA 639/4885HTR2A 1038/4885 |
| US-20070225506-A1 | PROCESSES FOR PRODUCING 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE AND ITS INTERMEDIATE, AS WELL AS SALT OF 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE, ITS HYDRATE AND COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT | DHX15, HAAO, DHX35 | ADRB2 571/4885MAOA 521/4885HTR2A 1148/4885 |
“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.