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 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL76674 | 0.88 | GAA (0.39) | TSHRNFKB1CYP2C19GAAL3MBTL1 | |
| Methacrylic Acid SCHEMBL22390559 | 0.88 | TSHR (0.35) | TSHRNFKB1CYP2C19APLNRSMN1; SMN2 | |
| Water SCHEMBL11620837 | 0.85 | GAA (0.37) | TSHRNFKB1CYP2C19GAAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL989098 | 0.85 | GAA (0.37) | TSHRNFKB1CYP2C19GAAL3MBTL1 | |
| Succinic Acid SCHEMBL11609352 | 0.85 | TSHR (0.36) | TSHRNFKB1CYP2C19APLNRSMN1; SMN2 | |
| Glutarate SCHEMBL11828129 | 0.82 | SLC22A6 (0.41) | TSHRNFKB1CYP2C19SMN1; SMN2 | |
| Tempol Hydroxylamine SCHEMBL986355 | 0.82 | GAA (0.46) | APLNRSMN1; SMN2GAAL3MBTL1FFAR3 | |
| Sulfuric Acid SCHEMBL986480 | 0.82 | GAA (0.32) | TSHRNFKB1CYP2C19GAAL3MBTL1 | |
| Nitrilotriacetic Acid SCHEMBL987147 | 0.81 | TSHR (0.37) | TSHRNFKB1CYP2C19 | |
| Edetic Acid SCHEMBL985303 | 0.78 | TDP1 (0.47) | TSHRNFKB1CYP2C19 |
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 6 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 |
| WO-2006087269-A1 | STABILIZATION OF NATURAL COMPOSITES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2006-08-24 | — | — | WO | 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 |
| WO-2006087269-A1 | STABILIZATION OF NATURAL COMPOSITES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2006-08-24 | — | — | WO | disclosed |
| US-20060183821-A1 | Stabilization of natural composites | CIBA CORPORATION | 2006-08-17 | — | — | US | disclosed |