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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | PAM | P19021 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | PPID | Q08752 | 1/20 | 0.53 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
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 SCHEMBL28763046 | 0.96 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| SCHEMBL1873977 | 0.96 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| Benzene SCHEMBL28160801 | 0.96 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| SCHEMBL112999 | 0.96 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| SCHEMBL1332625 | 0.96 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| Hydrochloric Acid SCHEMBL28243605 | 0.94 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| Ammonia Solution, Strong SCHEMBL27681752 | 0.94 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| Water SCHEMBL27679105 | 0.94 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| Ethyl Acetate SCHEMBL10550702 | 0.93 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MAPK1PAMKMT2A | |
| Ammonia Solution, Strong SCHEMBL11120321 | 0.92 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPK1PAMKMT2A |
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-2496682-A1 | DELIVERY PARTICLE | The Procter & Gamble Company (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011056935-A1 | DELIVERY PARTICLE | THE PROCTER & GAMBLE COMPANY (US) | 2011-05-12 | — | — | WO | disclosed |
| US-5358930-A | Can be used to impart a very natural, substantive, rich, natural vanilla bean and sweet aroma with chocolate topnotes to soaps, consmetics and other products | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1994-10-25 | — | — | US | disclosed |