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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.84 |
| ▸ | PPARG | P37231 | 2/20 | 0.56 |
| ▸ | PRKCA | P17252 | 4/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL113200 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL113498 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL333202 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL3661965 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL2077607 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL7054931 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL7059195 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL8210280 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL17627672 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 | |
| SCHEMBL7059128 | 0.92 | CYP1A2 (1.00) | CYP1A2PPARGPRKCAEPHX1GRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5948812-A | ORDORANTS | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 1999-09-07 | — | — | US | disclosed |