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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL15387371 | 0.92 | TDP1 (0.38) | ALDH1A1TDP1CAMK2APTPN1MAPT | |
| Acetic Acid SCHEMBL3392029 | 0.91 | ALDH1A1 (0.35) | ALDH1A1TDP1CAMK2APTPN1MAPT | |
| Acetic Acid SCHEMBL2166974 | 0.89 | ALDH1A1 (0.35) | ALDH1A1CAMK2APTPN1MAPTTP53 | |
| Methacrylic Acid SCHEMBL8523217 | 0.87 | TGFBR1 (0.33) | ALDH1A1TDP1CAMK2APTPN1MAPT | |
| Methacrylic Acid SCHEMBL9779670 | 0.87 | TGFBR1 (0.33) | ALDH1A1TDP1CAMK2APTPN1MAPT | |
| SCHEMBL2380939 | 0.87 | — | — | |
| SCHEMBL54852 | 0.87 | — | — | |
| SCHEMBL50388 | 0.87 | — | — | |
| Acetic Acid SCHEMBL3389770 | 0.85 | ALDH1A1 (0.38) | ALDH1A1CAMK2APTPN1MAPTGPR84 | |
| 1,3-Butanediol SCHEMBL9486917 | 0.84 | TDP1 (0.40) | ALDH1A1TDP1FFAR3LCKFYN |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103725118-A | Chelation rust-proof primer | JIANGSU PACIFIC HYDRAULIC MACHINERY MFG CO LTD | 2014-04-16 | — | — | CN | claimed |
| CN-103725118-A | Chelation rust-proof primer | JIANGSU PACIFIC HYDRAULIC MACHINERY MFG CO LTD | 2014-04-16 | — | — | CN | disclosed |
| CN-101109899-B | Resist composition | DAICEL CHEM | 2011-08-17 | — | — | CN | disclosed |
| CN-101109899-A | Resist composition | DAICEL CHEM (JP) | 2008-01-23 | — | — | CN | disclosed |