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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10127159 | 0.81 | CYP3A4 (0.34) | KDM1AMAOBRCOR1 | |
| SCHEMBL3723736 | 0.79 | TSHR (0.31) | — | |
| Acetic Acid SCHEMBL289184 | 0.75 | CYP1A2 (0.30) | — | |
| SCHEMBL10111396 | 0.71 | TSHR (0.39) | KDM1AMAOBRCOR1 | |
| SCHEMBL20941865 | 0.70 | OPRM1 (0.34) | KDM1AMAOBRCOR1 | |
| Hydrochloric Acid SCHEMBL18690044 | 0.70 | TSHR (0.41) | KDM1AMAOBRCOR1 | |
| SCHEMBL20941857 | 0.70 | OPRM1 (0.38) | — | |
| SCHEMBL21225042 | 0.67 | USP19 (0.39) | — | |
| SCHEMBL20941868 | 0.67 | PIK3CD (0.39) | KDM1AMAOBRCOR1 | |
| SCHEMBL11463081 | 0.66 | KDM4E (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010129729-A1 | SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2010-11-11 | — | — | WO | disclosed |