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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7308752 | 0.74 | ALDH1A1 (0.35) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| SCHEMBL9320930 | 0.70 | ALDH1A1 (0.37) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| SCHEMBL7314381 | 0.69 | ALDH1A1 (0.33) | ALDH1A1LMNAHSD17B10HCAR2CTDSP1 | |
| SCHEMBL2007137 | 0.67 | CA1 (0.35) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| SCHEMBL11099621 | 0.64 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Acetic Acid SCHEMBL28395322 | 0.64 | — | — | |
| Acetic Acid SCHEMBL8846612 | 0.63 | ALDH1A1 (0.34) | ALDH1A1LMNAHSD17B10HCAR2CTDSP1 | |
| SCHEMBL5261670 | 0.63 | — | — | |
| Ethyl Acetate SCHEMBL28155077 | 0.62 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| SCHEMBL6184922 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5614555-A | Amidinophenol derivatives | ONO PHARMACEUTICAL CO., LTD. (JP) | 1997-03-25 | — | — | US | disclosed |