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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 15/20 | 1.00 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.61 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.61 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.64 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | IDO1 | P14902 | 2/20 | 0.59 |
| ▸ | AGXT | P21549 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1379497 | 0.98 | MAOB (1.00) | MAOBPARP10NR4A2GAAMAPT | |
| SCHEMBL29638127 | 0.98 | MAOB (1.00) | MAOBPARP10NR4A2GAAMAPT | |
| Hydrochloric Acid SCHEMBL21313331 | 0.87 | MAOB (1.00) | MAOBPARP10NR4A2IDO1AGXT | |
| SCHEMBL27521276 | 0.86 | MAOB (0.77) | MAOBPARP10NR4A2MAOAIDO1 | |
| SCHEMBL992837 | 0.85 | MAOB (1.00) | MAOBPARP10NR4A2 | |
| SCHEMBL565998 | 0.84 | MAOB (1.00) | MAOBPARP10NR4A2 | |
| SCHEMBL30633287 | 0.83 | MAOB (0.73) | MAOBPARP10NR4A2MAOAIDO1 | |
| SCHEMBL811194 | 0.83 | MAOB (0.73) | MAOBPARP10NR4A2MAOAIDO1 | |
| SCHEMBL3625818 | 0.83 | MAOB (0.73) | MAOBPARP10NR4A2MAOA | |
| SCHEMBL15171108 | 0.83 | MAOB (0.73) | MAOBPARP10NR4A2MAOAIDO1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9562009-B2 | Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide | HOFFMANN-LA ROCHE INC. (US) | 2017-02-07 | — | — | US | claimed |
| US-20160237032-A1 | PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE | HOFFMANN-LA ROCHE INC. (US) | 2016-08-18 | — | — | US | claimed |
| US-9562009-B2 | Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide | HOFFMANN-LA ROCHE INC. (US) | 2017-02-07 | — | — | US | disclosed |
| EP-3063130-A1 | CRYSTALLINE FORMS OF A PYRROLIDONE DERIVATIVE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE AND PREPARATION THEREOF | F. Hoffmann-La Roche AG (CH) | 2016-09-07 | — | — | EP | disclosed |
| US-20160237032-A1 | PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE | HOFFMANN-LA ROCHE INC. (US) | 2016-08-18 | — | — | US | disclosed |
| WO-2015063001-A1 | CRYSTALLINE FORMS OF A PYRROLIDONE DERIVATIVE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE AND PREPARATION THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2015-05-07 | — | — | WO | disclosed |
| US-20110172230-A1 | UREA COMPOUND OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2011-07-14 | — | — | US | disclosed |
| EP-2065369-A1 | UREA COMPOUND OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2009-06-03 | — | — | EP | disclosed |
| EP-1699798-A4 | DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1699798-A2 | DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2006-09-13 | — | — | EP | disclosed |
| US-7064203-B2 | Di-substituted pyrrolotriazine compounds | BRISTOL MYERS SQUIBB COMPANY (US) | 2006-06-20 | — | — | US | disclosed |
| US-20050197339-A1 | Di-substituted pyrrolotrizine compounds | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-08 | — | — | US | disclosed |
| WO-2005065266-A2 | DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-21 | — | — | 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-20050197339-A1 | Di-substituted pyrrolotrizine compounds | ERBB2, ERBB4, EGFR | MAOB 1629/4885GAA 1444/4885MAOA 1996/4885 |
| US-20160237032-A1 | PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE | NANS, PFAS, ALDH18A1 | MAOB 471/4885GAA 285/4885MAOA 85/4885 |
| US-20110172230-A1 | UREA COMPOUND OR SALT THEREOF | FAAH, FAAH2, UTS2R | MAOB 222/4885GAA 1253/4885MAOA 309/4885 |
“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.