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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL6884370 | 0.97 | CA1 (0.55) | CA1ALDH1A1TDP1LMNASLC15A2 | |
| SCHEMBL7541851 | 0.94 | — | — | |
| SCHEMBL3790342 | 0.94 | CA1 (0.57) | CA1ALDH1A1TDP1LMNASLC15A2 | |
| SCHEMBL35996 | 0.94 | — | — | |
| SCHEMBL15091902 | 0.92 | — | — | |
| SCHEMBL842034 | 0.92 | — | — | |
| SCHEMBL8584039 | 0.86 | CA1 (0.50) | CA1ALDH1A1TDP1LMNASLC15A2 | |
| Methyl Isobutyl Ketone SCHEMBL8034980 | 0.84 | ALDH1A1 (0.70) | CA1ALDH1A1TDP1LMNASLC15A2 | |
| Acetic Acid SCHEMBL5311695 | 0.83 | GABRP (0.56) | CA1LMNASLC15A2GABRPGABRD | |
| SCHEMBL8334547 | 0.82 | TDP1 (0.48) | CA1ALDH1A1TDP1LMNASLC15A2 |
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-1915409-A1 | COATING COMPOSITION COMPRISING A POLYISOCYANATE AND A POLYOL | Akzo Nobel Coatings International BV (NL) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007020270-A1 | COATING COMPOSITION COMPRISING A POLYISOCYANATE AND A POLYOL | AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) | 2007-02-22 | — | — | WO | disclosed |