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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL109622 | 0.95 | MAPT (0.49) | MAPTTDP1L3MBTL1SRD5A2TNF | |
| Acetic Acid SCHEMBL27275952 | 0.88 | TSHR (0.40) | MAPTTDP1L3MBTL1CA1CA2 | |
| Crotonic Acid SCHEMBL15350522 | 0.86 | TNF (0.45) | MAPTTDP1L3MBTL1SRD5A2TNF | |
| Crotonic Acid SCHEMBL15350519 | 0.86 | TNF (0.45) | MAPTTDP1L3MBTL1SRD5A2TNF | |
| SCHEMBL27362705 | 0.82 | SRD5A2 (0.59) | MAPTTDP1L3MBTL1SRD5A2CA1 | |
| Acetic Acid SCHEMBL27691717 | 0.81 | TDP1 (0.52) | MAPTTDP1L3MBTL1SRD5A2ALDH1A1 | |
| Benzoic Acid Vinyl Ester SCHEMBL2594239 | 0.80 | TSHR (0.52) | MAPTTDP1L3MBTL1ALDH1A1MEN1 | |
| SCHEMBL295796 | 0.80 | ALDH1A1 (0.40) | MAPTTDP1CA1CA2ALDH1A1 | |
| Acetic Acid SCHEMBL27259678 | 0.79 | ALOX15 (0.45) | MAPTL3MBTL1SRD5A2CA1CA2 | |
| SCHEMBL9769607 | 0.79 | NPSR1 (0.38) | MAPTTDP1L3MBTL1SRD5A2TNF |
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-6039933-A | COMPRISING A COSMETICALLY ACCEPTABLE MEDIUM CONTAINING AT LEAST ONE BINDING POLYMER, AT LEAST ONE OXYALKYLENE SILICONE AND AT LEAST 30 WT % OF A WATER-SOLUBLE SOLVENT HAVING A BOILING POINT LOWER THAN 85 DEGREES C | L'OREAL (FR) | 2000-03-21 | — | — | US | disclosed |