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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | PAM | P19021 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | CBS | P35520 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL30343541 | 0.81 | ALDH1A1 (0.43) | FFAR3ALDH1A1TSHRTDP1NAAA | |
| Acetic Acid SCHEMBL11151335 | 0.77 | FFAR3 (0.47) | FFAR3PAMALDH1A1TSHRCTH | |
| SCHEMBL921532 | 0.75 | — | — | |
| SCHEMBL4323705 | 0.75 | TSHR (0.39) | PAMTSHRCTHCBSTHPO | |
| SCHEMBL94603 | 0.75 | TSHR (0.39) | PAMTSHRCTHCBSTHPO | |
| Propionic Acid SCHEMBL2493330 | 0.75 | FFAR3 (0.62) | FFAR3PAMALDH1A1TSHRTDP1 | |
| SCHEMBL11342641 | 0.73 | TSHR (0.38) | PAMTSHRCTHCBSTHPO | |
| SCHEMBL4323713 | 0.73 | LDHA (0.40) | PAMTSHRCTHCBSTHPO | |
| Ethylamine SCHEMBL11742140 | 0.72 | EGLN1 (0.41) | FFAR3PAMALDH1A1TSHRCTH | |
| SCHEMBL8673718 | 0.72 | NAAA (0.41) | FFAR3ALDH1A1TSHRTDP1NAAA |
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-2010089259-A2 | SUSTAINED RELEASE COMPOSITION CONTAINING QUETIAPINE | WOERWAG R&D GMBH (DE) | 2010-08-12 | — | — | WO | disclosed |