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 | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL132576 | 0.96 | GRIK1 (0.40) | GRIK1GRIK2TDP1ALOX15ALDH1A1 | |
| SCHEMBL1302324 | 0.96 | GRIK1 (0.40) | GRIK1GRIK2TDP1ALOX15ALDH1A1 | |
| SCHEMBL9985312 | 0.83 | GRIK1 (0.38) | GRIK1GRIK2ALOX15TSHRPTGS1 | |
| SCHEMBL9985313 | 0.83 | GRIK1 (0.38) | GRIK1GRIK2ALOX15TSHRPTGS1 | |
| SCHEMBL1697967 | 0.83 | GRIK1 (0.38) | GRIK1GRIK2ALOX15TSHRPTGS1 | |
| SCHEMBL23923660 | 0.83 | GRIK1 (0.38) | GRIK1GRIK2ALOX15TSHRPTGS1 | |
| SCHEMBL31509100 | 0.81 | GRIK1 (0.37) | GRIK1GRIK2TSHRPTGS1CYP2D6 | |
| SCHEMBL336388 | 0.81 | GRIK1 (0.37) | GRIK1GRIK2ALOX15ALDH1A1TSHR | |
| SCHEMBL23923722 | 0.81 | GRIK1 (0.37) | GRIK1GRIK2TSHRPTGS1CYP2D6 | |
| SCHEMBL9323590 | 0.81 | TSHR (0.50) | GRIK1GRIK2ALDH1A1CYP3A4SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455284-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2019-03-20 | — | — | EP | disclosed |
| WO-2017196763-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-16 | — | — | WO | disclosed |
| WO-2017196762-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-16 | — | — | WO | disclosed |
| EP-3218425-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016077513-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2016-05-19 | — | — | WO | disclosed |
| EP-1048293-A1 | Headlice treatment compositions | THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) | 2000-11-02 | — | — | EP | disclosed |