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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | PRKCI | P41743 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.48 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.48 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | QDPR | P09417 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28150439 | 1.00 | MAPT (0.65) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Alcohol SCHEMBL28533437 | 0.97 | MAPT (0.61) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Pyrazine SCHEMBL27594329 | 0.88 | MAPT (0.47) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Propane SCHEMBL28169987 | 0.88 | MAPT (0.73) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Pyrrole SCHEMBL28324566 | 0.86 | MAPT (0.48) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Ethylene Glycol SCHEMBL28409752 | 0.85 | MAPT (0.69) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Methyl Alcohol SCHEMBL28030205 | 0.84 | MAPT (0.79) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Ethane SCHEMBL27940957 | 0.81 | MAPT (0.85) | MAPTLMNANOTUMCYP3A4CYP2D6 | |
| SCHEMBL9728 | 0.80 | MAPT (1.00) | MAPTLMNANOTUMPRKCICYP3A4 | |
| Alcohol SCHEMBL27915870 | 0.80 | SMN1; SMN2 (0.41) | MAPTLMNASMN1; SMN2L3MBTL1NOS1 |
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-110496603-A | A kind of synthetic method of copper-based flexibility MOF material | UNIV NORTHEASTERN | 2019-11-26 | — | — | CN | disclosed |