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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL30612373 | 0.90 | ALDH1A1 (0.48) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Bicarbonate SCHEMBL10694124 | 0.90 | ALDH1A1 (0.48) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Oxalic Acid SCHEMBL30284954 | 0.87 | CYP1A2 (0.46) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL128831 | 0.87 | CYP1A2 (0.39) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL4128851 | 0.87 | CYP1A2 (0.39) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL1019402 | 0.87 | CYP1A2 (0.39) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL4129350 | 0.87 | CYP1A2 (0.39) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL11905901 | 0.87 | CYP1A2 (0.39) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL130200 | 0.87 | CYP1A2 (0.39) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL149902 | 0.87 | CYP1A2 (0.39) | CYP1A2ALDH1A1SMN1; SMN2USP2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101490170-A | Curable resin composition and method for forming cured coating film | DAICEL CHEM (JP) | 2009-07-22 | — | — | CN | disclosed |