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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | GMNN | O75496 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 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 | |
|---|---|---|---|---|
| SCHEMBL28068435 | 0.95 | MMP12 (0.43) | LMNASMN1; SMN2MMP12CYP1A2SLC22A6 | |
| SCHEMBL25517 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL22607979 | 0.93 | MMP12 (0.42) | LMNASMN1; SMN2MMP12CYP1A2SLC22A6 | |
| Alcohol SCHEMBL28013088 | 0.91 | MMP12 (0.41) | LMNASMN1; SMN2MMP12CYP1A2SLC22A6 | |
| SCHEMBL27975095 | 0.89 | MMP12 (0.40) | LMNASMN1; SMN2MMP12CYP1A2SLC22A6 | |
| Isobutyraldehyde SCHEMBL28055884 | 0.88 | MMP12 (0.37) | LMNASMN1; SMN2MMP12CYP1A2MAPK1 | |
| Tetrapropylammonium SCHEMBL27942917 | 0.87 | CYP1A2 (0.39) | LMNASMN1; SMN2MMP12ALOX15CYP1A2 | |
| Ethyl Acetate SCHEMBL3765604 | 0.86 | ALDH1A1 (0.52) | LMNASMN1; SMN2MMP12ALOX15TSHR | |
| SCHEMBL28066392 | 0.85 | MMP12 (0.38) | LMNASMN1; SMN2MMP12CYP1A2SLC22A6 | |
| Propylene Glycol SCHEMBL27935753 | 0.84 | TDP1 (0.39) | LMNASMN1; SMN2MMP12SLC22A6TSHR |
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-2066751-A1 | PIGMENT CONCENTRATE | Akzo Nobel Coatings International BV (NL) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008037678-A1 | PIGMENT CONCENTRATE | AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) | 2008-04-03 | — | — | WO | disclosed |