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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL578932 | 0.88 | GAA (0.35) | TSHRNFKB1CYP2C19GAAMEN1 | |
| Iodide SCHEMBL6292630 | 0.85 | GAA (0.34) | TSHRNFKB1CYP2C19GAAMEN1 | |
| Hydrochloric Acid SCHEMBL11333509 | 0.85 | GAA (0.34) | TSHRNFKB1CYP2C19GAAMEN1 | |
| SCHEMBL9717101 | 0.85 | GAA (0.34) | TSHRNFKB1CYP2C19GAAMEN1 | |
| Acetic Acid SCHEMBL2863906 | 0.82 | KMT2A (0.40) | GAAMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL986789 | 0.82 | KMT2A (0.40) | GAAMEN1KMT2AFFAR3LCK | |
| Nitrilotriacetic Acid SCHEMBL986873 | 0.81 | TSHR (0.37) | TSHRNFKB1CYP2C19GAAMEN1 | |
| Edetic Acid SCHEMBL987120 | 0.78 | TDP1 (0.47) | TSHRNFKB1CYP2C19GAAALDH1A1 | |
| Acetic Acid SCHEMBL3796423 | 0.77 | GAA (0.45) | GAAMEN1KMT2AALDH1A1 | |
| Pentetic Acid SCHEMBL987175 | 0.77 | TDP1 (0.48) | TSHRNFKB1CYP2C19GAAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7862746-B2 | Stabilization of natural composites | BASF SE. (DE) | 2011-01-04 | — | — | US | claimed |
| US-20060183821-A1 | Stabilization of natural composites | CIBA CORPORATION | 2006-08-17 | — | — | US | claimed |
| US-7862746-B2 | Stabilization of natural composites | BASF SE. (DE) | 2011-01-04 | — | — | US | disclosed |
| US-20060183821-A1 | Stabilization of natural composites | CIBA CORPORATION | 2006-08-17 | — | — | US | disclosed |