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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | STAMBP | O95630 | 1/20 | 0.33 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.31 |
| ▸ | GLRB | P48167 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 2/20 | 0.30 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL211122 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL243026 | 0.85 | — | — | |
| SCHEMBL3262436 | 0.78 | — | — | |
| SCHEMBL26546183 | 0.74 | EPHX2 (0.53) | FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22660990 | 0.72 | FFAR2 (0.43) | FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL11613680 | 0.71 | EPHX2 (0.39) | FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL28455478 | 0.71 | EPHX2 (0.39) | FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL18072257 | 0.69 | — | — | |
| SCHEMBL4560098 | 0.69 | — | — | |
| SCHEMBL21743428 | 0.69 | KDM4E (0.45) | FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1228783-A | Novel thrombin inhibitors | BASF AG (DE) | 1999-09-15 | — | — | CN | disclosed |