Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CDC42 | P60953 | 1/20 | 0.49 |
| ▸ | RAC1 | P63000 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL120603 | 0.88 | CYP1A2 (0.55) | CYP1A2TSHRCA1CA2L3MBTL1 | |
| SCHEMBL56478 | 0.88 | CYP1A2 (0.55) | CYP1A2TSHRCA1CA2L3MBTL1 | |
| SCHEMBL57137 | 0.88 | CYP1A2 (0.55) | CYP1A2TSHRCA1CA2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL2186508 | 0.86 | CYP1A2 (0.53) | CYP1A2TSHRCA1CA2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28704563 | 0.86 | CYP1A2 (0.53) | CYP1A2TSHRCA1CA2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28706049 | 0.86 | CYP1A2 (0.53) | CYP1A2TSHRCA1CA2L3MBTL1 | |
| Bromide SCHEMBL28602504 | 0.86 | CYP1A2 (0.53) | CYP1A2TSHRCA1CA2L3MBTL1 | |
| SCHEMBL30913870 | 0.82 | ALOX5 (0.53) | ALOX5CYP1A2RAB9ATSHRCA1 | |
| SCHEMBL756642 | 0.82 | LTA4H (0.52) | CYP1A2TSHRMEN1KMT2ACA1 | |
| Propane SCHEMBL29187532 | 0.82 | CYP1A2 (0.55) | CYP1A2TSHRCA1CA2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-59098043-A | — | — | None | — | — | JP | disclosed |
| JP-S5998043-A | OPTICAL RESOLUTION OF (+-)-P-METHOXY-ALPHA-METHYLBENZYLAMINE | NOHIRA HIROYUKI | 1984-06-06 | — | — | JP | disclosed |