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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29075 | 0.93 | — | — | |
| Cyclohexane SCHEMBL4150033 | 0.87 | HPGD (0.40) | HCAR2HPGDLMNANAAADGKA | |
| Acetic Acid Butyl Ester SCHEMBL4832766 | 0.83 | ALDH1A1 (0.64) | HCAR2HPGDNAAADGKAALDH1A1 | |
| SCHEMBL16865885 | 0.81 | DGKA (0.41) | HCAR2HPGDNAAADGKAALDH1A1 | |
| P-Xylene SCHEMBL223418 | 0.80 | HPGD (0.46) | HPGDLMNAALDH1A1CA2ESR1 | |
| SCHEMBL16912849 | 0.80 | NAAA (0.37) | HCAR2HPGDNAAADGKAALDH1A1 | |
| SCHEMBL195751 | 0.80 | ALDH1A1 (0.54) | HCAR2HPGDNAAADGKAALDH1A1 | |
| Acetic Acid SCHEMBL25320010 | 0.79 | NAAA (0.58) | HCAR2HPGDLMNANAAADGKA | |
| Acetic Acid SCHEMBL28208274 | 0.79 | DGKA (0.52) | HCAR2LMNANAAADGKAALDH1A1 | |
| SCHEMBL27824114 | 0.79 | NAAA (0.48) | HCAR2HPGDLMNANAAADGKA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180002566-A1 | TWO-COMPONENT COATING COMPOSITIONS AND COATINGS PRODUCED THEREFROM FOR IMPROVING EROSION RESISTANCE | BASF COATINGS GMBH (DE) | 2018-01-04 | — | — | US | disclosed |
| US-6596817-B2 | From an aliphatic monocyclic or polycyclic compound containing at least two hydroxyl groups and/or epoxide groups and having at least one heteroatom, such as tris(2-hydroxyethyl) isocyanurate | SOLUTIA AUSTRIA GMBH (AT) | 2003-07-22 | — | — | US | disclosed |
| US-5344897-A | Liquid coating agent based on transesterified, modified epoxy resins and blocked polyamines | HOECHST AG (DE) | 1994-09-06 | — | — | US | disclosed |