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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3338321 | 0.89 | — | — | |
| Acetic Acid SCHEMBL4438750 | 0.81 | TSHR (0.31) | TSHRKMT2A | |
| SCHEMBL6174558 | 0.80 | APLNR (0.42) | TSHRKMT2AALDH1A1 | |
| SCHEMBL8462829 | 0.78 | TSHR (0.49) | TSHRKMT2AALDH1A1ESR1HSD17B10 | |
| SCHEMBL9273053 | 0.77 | TSHR (0.31) | TSHRKMT2A | |
| SCHEMBL10067197 | 0.76 | TSHR (0.38) | TSHRKMT2AALDH1A1ESR1HSD17B10 | |
| SCHEMBL9334229 | 0.76 | TSHR (0.33) | TSHRKMT2A | |
| SCHEMBL7470309 | 0.76 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL646221 | 0.75 | — | — | |
| SCHEMBL4807341 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125732-A1 | SYMMETRIC AZO COMPOUNDS IN FLAME RETARDANT COMPOSITIONS | BASF SE (DE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008101845-A1 | SYMMETRIC AZO COMPOUNDS IN FLAME RETARDANT COMPOSITIONS | BASF SE (CH) | 2008-08-28 | — | — | WO | disclosed |