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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL6933680 | 0.90 | TSHR (0.45) | TSHRTDP1OR51E2TP53TRPA1 | |
| Acetic Acid SCHEMBL2160893 | 0.89 | AKR1B1 (0.38) | FFAR3LCKFYNTSHRTDP1 | |
| Acetic Acid SCHEMBL2166831 | 0.87 | TGFBR1 (0.38) | FFAR3LCKFYNTSHRTDP1 | |
| Acetic Acid SCHEMBL14675471 | 0.85 | TSHR (0.43) | FFAR3LCKFYNTSHRTDP1 | |
| Methacrylic Acid SCHEMBL9779539 | 0.83 | TGFBR1 (0.43) | TSHRTDP1ALDH1A1OR51E2TRPA1 | |
| Methacrylic Acid SCHEMBL9779254 | 0.83 | TGFBR1 (0.43) | TSHRTDP1ALDH1A1OR51E2TRPA1 | |
| Methacrylic Acid SCHEMBL3319371 | 0.83 | TGFBR1 (0.43) | TSHRTDP1ALDH1A1OR51E2TRPA1 | |
| Methacrylic Acid SCHEMBL9779579 | 0.83 | TGFBR1 (0.43) | TSHRTDP1ALDH1A1OR51E2TRPA1 | |
| Isobutanol SCHEMBL10277757 | 0.83 | — | — | |
| Isobutanol SCHEMBL27702082 | 0.83 | TSHR (0.64) | FFAR3LCKFYNTSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0316374-B1 | OPTICALLY ACTIVE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-31 | — | — | EP | disclosed |