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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | LIPA | P38571 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1202262 | 1.00 | EPHX1 (0.42) | EPHX1EPHX2GLALIPAHSD11B1 | |
| Bicarbonate SCHEMBL29213562 | 0.93 | EPHX1 (0.44) | EPHX1EPHX2GLALIPAHSD11B1 | |
| SCHEMBL579573 | 0.87 | EPHX1 (0.40) | EPHX1EPHX2GLALIPAHSD11B1 | |
| SCHEMBL114150 | 0.87 | EPHX1 (0.40) | EPHX1EPHX2GLALIPAHSD11B1 | |
| SCHEMBL579272 | 0.87 | EPHX1 (0.40) | EPHX1EPHX2GLALIPAHSD11B1 | |
| SCHEMBL29174199 | 0.85 | EPHX1 (0.39) | EPHX1EPHX2GLALIPAHSD11B1 | |
| SCHEMBL5136091 | 0.85 | EPHX1 (0.39) | EPHX1EPHX2GLALIPAHSD11B1 | |
| Acrylic Acid SCHEMBL6449823 | 0.83 | LMNA (0.40) | EPHX1EPHX2GLALIPAHSD11B1 | |
| SCHEMBL12158781 | 0.80 | EPHX1 (0.36) | EPHX1EPHX2GLALIPAHSD11B1 | |
| SCHEMBL4846911 | 0.78 | TSHR (0.43) | EPHX1EPHX2GLALIPAHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110093246-A1 | Modeling Systems for Consumer Goods | STANTON DAVID THOMAS | 2011-04-21 | — | — | US | disclosed |
| US-20080040082-A1 | Modeling systems for consumer goods | THE PROCTER & GAMBLE COMPANY | 2008-02-14 | — | — | US | disclosed |
| US-20080027575-A1 | Modeling systems for health and beauty consumer goods | PROCTER & GAMBLE COMPANY, THE | 2008-01-31 | — | — | US | disclosed |