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 | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 4/20 | 0.43 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | TERT | O14746 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | PPARD | Q03181 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17199796 | 0.85 | FAAH (0.41) | FAAHSOAT1CYP1A2CYP2C19KMT2A | |
| SCHEMBL8634250 | 0.84 | FAAH (0.50) | FAAHSOAT1CYP1A2CYP2C19KMT2A | |
| SCHEMBL9755523 | 0.82 | FAAH (0.47) | FAAHSOAT1CYP1A2CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL4381321 | 0.81 | FAAH (0.46) | FAAHSOAT1CYP1A2CYP2C19KMT2A | |
| SCHEMBL9099238 | 0.78 | FAAH (0.49) | FAAHSOAT1CYP1A2CYP2C19KMT2A | |
| SCHEMBL29742942 | 0.76 | FDPS (0.44) | FFAR1PPARDMAPT | |
| SCHEMBL14840323 | 0.76 | FAAH (0.50) | FAAHSOAT1CYP1A2CYP2C19KMT2A | |
| SCHEMBL27578224 | 0.76 | TERT (0.49) | FAAHCYP1A2CYP2C19KMT2AFFAR1 | |
| SCHEMBL8979994 | 0.76 | TERT (0.49) | FAAHCYP1A2CYP2C19KMT2AFFAR1 | |
| SCHEMBL164527 | 0.74 | FAAH (0.54) | FAAHSOAT1CYP1A2CYP2C19KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7629415-B2 | Highly concentrated self-emulsifying preparations containing organopolysiloxanes and alkylammonium compounds and use thereof in aqueous systems | RUDOLF GMBH & CO. KG CHEMISCHE FABRIK (DE) | 2009-12-08 | — | — | US | disclosed |
| US-20070012895-A1 | Highly concentrated, self-emulsifying preparations containing organopolysiloxanes and alkyl ammonium compounds and their use in aqueous systems | RUDOLF GMBH & CO. KG CHEMISCHE FABRIK (DE) | 2007-01-18 | — | — | US | disclosed |