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 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL251422 | 0.91 | NPC1 (0.61) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL7921927 | 0.82 | NPC1 (0.46) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL9868391 | 0.81 | NPC1 (0.47) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL10728649 | 0.79 | RAB9A (0.61) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL14126172 | 0.79 | NPC1 (0.66) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL11116579 | 0.79 | NPC1 (0.57) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL2228922 | 0.79 | NPC1 (0.56) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL6571736 | 0.78 | NPC1 (0.70) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL10547324 | 0.78 | NPC1 (0.64) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL10546687 | 0.77 | NPC1 (0.62) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0752612-B1 | Electrochromic device | NIPPON MITSUBISHI OIL CORP (JP) | 2004-04-21 | — | — | EP | disclosed |
| US-5859722-A | Electrochromic device | NIPPOM OIL CO., LTD (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0752612-A1 | Electrochromic device | NIPPON OIL CO., LTD. (JP) | 1997-01-08 | — | — | EP | disclosed |