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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 3/20 | 0.47 |
| ▸ | F3 | P13726 | 3/20 | 0.47 |
| ▸ | FASN | P49327 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 6/20 | 0.43 |
| ▸ | PPARD | Q03181 | 5/20 | 0.43 |
| ▸ | PPARA | Q07869 | 5/20 | 0.43 |
| ▸ | TERT | O14746 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | BLM | P54132 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | FABP4 | P15090 | 3/20 | 0.43 |
| ▸ | TOP1 | P11387 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6431982 | 1.00 | F7 (0.47) | F7F3FASNPPARGPPARD | |
| SCHEMBL27482001 | 0.88 | — | — | |
| Acetic Acid SCHEMBL27587008 | 0.82 | F7 (0.64) | F7F3PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL30514132 | 0.82 | F7 (0.64) | F7F3PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL29714889 | 0.80 | F7 (0.61) | F7F3PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL31277044 | 0.78 | PPARG (0.65) | F7F3PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL28369548 | 0.76 | TERT (0.69) | F7F3PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL27928109 | 0.76 | TERT (0.69) | F7F3PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL29195726 | 0.76 | TERT (0.69) | F7F3PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL28484488 | 0.76 | TERT (0.69) | F7F3PPARGPPARDPPARA |
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-1506711-A2 | Fungicidal combinations of active agents | Bayer CropScience AG (DE) | 2005-02-16 | — | — | EP | disclosed |