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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 3/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28946054 | 1.00 | ALDH1A1 (0.60) | ALDH1A1TP53CYP3A4PDK1MGLL | |
| SCHEMBL15440362 | 0.96 | — | — | |
| SCHEMBL813943 | 0.96 | — | — | |
| SCHEMBL2928403 | 0.96 | — | — | |
| SCHEMBL28725398 | 0.96 | ALDH1A1 (0.64) | ALDH1A1TP53CYP3A4PDK1MGLL | |
| SCHEMBL3803240 | 0.93 | ALDH1A1 (0.62) | ALDH1A1TP53CYP3A4PDK1MGLL | |
| Methane SCHEMBL6359894 | 0.93 | — | — | |
| SCHEMBL3806824 | 0.93 | ALDH1A1 (0.62) | ALDH1A1TP53CYP3A4PDK1MGLL | |
| Cyclohexane SCHEMBL6354327 | 0.91 | ALDH1A1 (0.60) | ALDH1A1TP53CYP3A4PDK1MGLL | |
| SCHEMBL28508237 | 0.91 | ALDH1A1 (0.60) | ALDH1A1TP53CYP3A4PDK1MGLL |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010105123-A1 | VISION ENHANCING OPTICAL ARTICLES | TRANSITIONS OPTICAL, INC. (US) | 2010-09-16 | — | — | WO | disclosed |
| US-20100232003-A1 | VISION ENHANCING OPTICAL ARTICLES | TRANSITIONS OPTICAL, INC. (US) | 2010-09-16 | — | — | US | disclosed |
| US-20080187749-A1 | OPTICAL ELEMENT HAVING LIGHT INFLUENCING PROPERTY | PPG INDUSTRIES OHIO, INC. (US) | 2008-08-07 | — | — | US | disclosed |
| WO-2008088633-A1 | OPTICAL ELEMENT HAVING LIGHT INFLUENCING PROPERTY | PPG INDUSTRIES OHIO, INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| EP-1340108-B9 | ORGANIC PHOTOCHROMIC COMPOSITIONS OF IMPROVED KINETIC PERFORMANCE | TRANSITIONS OPTICAL INC (US) | 2006-08-23 | — | — | EP | disclosed |
| EP-1340108-B1 | ORGANIC PHOTOCHROMIC COMPOSITIONS OF IMPROVED KINETIC PERFORMANCE | TRANSITIONS OPTICAL INC (US) | 2006-03-15 | — | — | EP | disclosed |
| EP-1340108-A2 | ORGANIC PHOTOCHROMIC COMPOSITIONS OF IMPROVED KINETIC PERFORMANCE | TRANSITIONS OPTICAL, INC. (US) | 2003-09-03 | — | — | EP | disclosed |
| US-6433043-B1 | EPOXIDE; AND NAPHTHOPYRAN, QUINOPYRAN, INDENONAPHTHOPYRAN, PHENANTHROPYRAN, BENZOPYRAN, FULGIDES, FULGIMIDES, AND/OR METAL DITHIOZONATE PHOTOCHROMIC COMPOUND; OPHTHALMIC LENSES | TRANSITIONS OPTICAL, INC. | 2002-08-13 | — | — | US | disclosed |
| WO-2002044258-A2 | ORGANIC PHOTOCHROMIC COMPOSITIONS OF IMPROVED KINETIC PERFORMANCE | TRANSITIONS OPTICAL, INC. (US) | 2002-06-06 | — | — | WO | disclosed |