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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | ELANE | P08246 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | RECQL | P46063 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16226983 | 0.83 | ELANE (0.83) | ALDH1A1MAPTKDM4EELANEHPGD | |
| SCHEMBL16225652 | 0.78 | ALDH1A1 (0.69) | ALDH1A1MAPTKDM4EELANEHPGD | |
| Lunatin SCHEMBL16226694 | 0.78 | ELANE (0.76) | ALDH1A1MAPTKDM4EELANEHPGD | |
| SCHEMBL5822130 | 0.78 | ALDH1A1 (0.73) | ALDH1A1MAPTKDM4EELANEHPGD | |
| Lunatin SCHEMBL30761640 | 0.78 | ELANE (0.76) | ALDH1A1MAPTKDM4EELANEHPGD | |
| SCHEMBL30625943 | 0.77 | ALDH1A1 (0.65) | ALDH1A1MAPTKDM4EELANEHPGD | |
| SCHEMBL9559078 | 0.77 | ALDH1A1 (0.60) | ALDH1A1MAPTKDM4EELANEHPGD | |
| SCHEMBL30140513 | 0.77 | ELANE (0.90) | ALDH1A1MAPTKDM4EELANEHPGD | |
| SCHEMBL16226000 | 0.77 | ELANE (0.90) | ALDH1A1MAPTKDM4EELANEHPGD | |
| SCHEMBL5093803 | 0.76 | ALDH1A1 (0.58) | ALDH1A1MAPTKDM4EELANEHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006107827-A1 | SKIN BONDING PROCESS | CREIGHTON UNIVERSITY (US) | 2006-10-12 | — | — | WO | disclosed |