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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL132424 | 0.94 | — | — | |
| SCHEMBL28930565 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL16209179 | 0.91 | — | — | |
| Methylamine SCHEMBL9247975 | 0.88 | — | — | |
| Acetic Acid SCHEMBL2857432 | 0.88 | TSHR (0.44) | TSHRFFAR3LCKFYNCHRM2 | |
| Acetic Acid SCHEMBL571655 | 0.86 | TSHR (0.42) | TSHRFFAR3LCKFYNCHRM2 | |
| Acetic Acid SCHEMBL18421895 | 0.84 | TSHR (0.41) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL16758263 | 0.83 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Ethylene Glycol SCHEMBL9478931 | 0.83 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Ethylene SCHEMBL6012172 | 0.83 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R |
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-2566436-A1 | COSMETIC COMPOSITION COMPRISING BORON NITRIDE COMPLEX POWDER | Chanel Parfums Beauté (FR) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011137938-A1 | COSMETIC COMPOSITION COMPRISING BORON NITRIDE COMPLEX POWDER | CHANEL PARFUMS BEAUTE (FR) | 2011-11-10 | — | — | WO | disclosed |
| US-6607736-B2 | Endermic liniment comprising diethoxy ethyl succinate and humectant | SHISEIDO COMPANY, LTD. (JP) | 2003-08-19 | — | — | US | disclosed |