Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL208030 | 0.85 | — | — | |
| SCHEMBL27682031 | 0.79 | APP (0.41) | APPKDM4ELMNACYP1A2CYP3A4 | |
| Pyrrole SCHEMBL29124170 | 0.76 | APP (0.46) | APPKDM4ENPSR1CYP1A2CYP3A4 | |
| Diphenylacetylene SCHEMBL27449385 | 0.72 | APP (0.80) | APPKDM4ELMNACYP1A2CYP3A4 | |
| Benzonitrile SCHEMBL10616404 | 0.71 | TSHR (0.70) | KDM4ENPC1RAB9ASMN1; SMN2MAPT | |
| Phenylacetylene SCHEMBL28253007 | 0.71 | HDAC8 (0.41) | APPKDM4ELMNANPSR1CYP2C9 | |
| Alcohol SCHEMBL28894817 | 0.71 | KCNH2 (0.43) | APPKDM4ELMNANPSR1CYP1A2 | |
| SCHEMBL718611 | 0.71 | APP (0.42) | APPCYP1A2FFAR1MAPT | |
| SCHEMBL2092478 | 0.69 | NPSR1 (0.63) | APPKDM4ELMNANPSR1CYP1A2 | |
| SCHEMBL9784153 | 0.69 | NPSR1 (0.63) | APPKDM4ELMNANPSR1CYP1A2 |
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-103333697-B | Nematic negative liquid crystal containing 2,3,5,6-tetrafluorotolane, synthetic method and application | FUJIAN SHAOWU YONGJING CHEMICAL CO LTD | 2015-06-03 | — | — | CN | disclosed |