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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 5/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 2/20 | 0.32 |
| ▸ | FNTB | P49356 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL988359 | 0.93 | ALOX15 (0.59) | ALOX15HIF1AEPAS1TSHRLMNA | |
| Linalyl Acetate SCHEMBL4930354 | 0.86 | ALOX15 (0.49) | ALOX15HIF1AEPAS1KDM4EATM | |
| SCHEMBL8743649 | 0.86 | ALOX15 (0.52) | ALOX15HIF1AEPAS1KDM4EATM | |
| SCHEMBL8374951 | 0.85 | ALOX15 (0.55) | ALOX15HIF1AEPAS1TSHR | |
| Acetic Acid SCHEMBL29127459 | 0.82 | ALOX15 (0.45) | ALOX15HIF1AEPAS1KDM4EATM | |
| Linalyl Acetate SCHEMBL901206 | 0.82 | ALOX15 (0.52) | ALOX15HIF1AEPAS1KDM4EATM | |
| SCHEMBL8743652 | 0.82 | ALOX15 (0.52) | ALOX15HIF1AEPAS1KDM4EATM | |
| SCHEMBL10524674 | 0.82 | ALOX15 (0.52) | ALOX15HIF1AEPAS1TSHR | |
| Linalyl Acetate SCHEMBL58028 | 0.82 | ALOX15 (0.52) | ALOX15HIF1AEPAS1KDM4EATM | |
| Linalyl Acetate SCHEMBL15745424 | 0.82 | ALOX15 (0.52) | ALOX15HIF1AEPAS1KDM4EATM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109745253-A | A kind of composition for dispelling vergeture | 陕西慧康生物科技有限责任公司 | 2019-05-14 | — | — | CN | disclosed |