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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.52 |
| ▸ | DGKA | P23743 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Heptylacetate SCHEMBL27786255 | 0.92 | KDM4E (0.58) | USP2MEN1KMT2AKDM4EDUSP3 | |
| SCHEMBL29906133 | 0.89 | KDM4E (0.61) | USP2MEN1KMT2AKDM4EDUSP3 | |
| Cetyl Alcohol SCHEMBL27468473 | 0.88 | LMNA (0.59) | USP2MEN1KMT2AKDM4EDUSP3 | |
| Cetostearyl Alcohol SCHEMBL27603933 | 0.88 | LMNA (0.59) | USP2MEN1KMT2AKDM4EDUSP3 | |
| Heptanoate SCHEMBL27694786 | 0.85 | MEN1 (0.65) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Myristic Acid SCHEMBL27703921 | 0.85 | MEN1 (0.65) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Stearic Acid SCHEMBL27760235 | 0.85 | MEN1 (0.65) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Stearic Acid SCHEMBL15939441 | 0.85 | MEN1 (0.65) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Dodecanoate SCHEMBL27694783 | 0.85 | MEN1 (0.65) | MEN1KMT2AKDM4EDUSP3LMNA | |
| Palmitic Acid SCHEMBL27724441 | 0.85 | MEN1 (0.65) | MEN1KMT2AKDM4EDUSP3LMNA |
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-107912022-A | Cosmetic composition containing E/Z-2-benzyl indene-5, 6-dimethoxy-3, 3-dimethyl indan-1-one | 西姆莱斯股份公司 | 2018-04-13 | — | — | CN | disclosed |