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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.45 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.45 |
| ▸ | TGM2 | P21980 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL9190129 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Methyl Alcohol SCHEMBL8855368 | 0.90 | — | — | |
| Ethane SCHEMBL9809196 | 0.90 | — | — | |
| SCHEMBL1488043 | 0.90 | TSHR (0.65) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| SCHEMBL25806 | 0.90 | — | — | |
| Methacrylic Acid SCHEMBL4373665 | 0.89 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Propane SCHEMBL8855237 | 0.88 | TSHR (0.56) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Acrylic Acid SCHEMBL10413230 | 0.88 | TSHR (0.56) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Alcohol SCHEMBL11584276 | 0.88 | TSHR (0.56) | ALDH1A1TSHRMAPK1TDP1ZDHHC20 | |
| Water SCHEMBL9482345 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1384766-B1 | Remoistenable pre-applied adhesive | NAT STARCH CHEM INVEST (US) | 2008-09-17 | — | — | EP | claimed |