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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.73 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.73 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.63 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.61 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5700 | 0.95 | LTA4H (0.80) | LTA4HEPHX2CYP4F2CYP4A11FFAR1 | |
| SCHEMBL6029 | 0.89 | CYP4F2 (0.71) | LTA4HEPHX2CYP4F2CYP4A11FFAR1 | |
| SCHEMBL26908628 | 0.87 | LTA4H (0.67) | LTA4HEPHX2CYP4F2CYP4A11FFAR1 | |
| SCHEMBL17609087 | 0.86 | LTA4H (0.63) | LTA4HEPHX2CYP4F2CYP4A11FFAR1 | |
| SCHEMBL1563277 | 0.84 | LTA4H (1.00) | LTA4HEPHX2CYP4F2CYP4A11FFAR1 | |
| SCHEMBL10784840 | 0.84 | LTA4H (0.64) | LTA4HEPHX2FFAR1FFAR4LMNA | |
| SCHEMBL18625341 | 0.83 | CYP4F2 (0.63) | LTA4HEPHX2CYP4F2CYP4A11FFAR1 | |
| SCHEMBL11687518 | 0.83 | LTA4H (0.97) | LTA4HEPHX2FFAR1FFAR4LMNA | |
| SCHEMBL5760428 | 0.83 | LTA4H (0.90) | LTA4HEPHX2CYP4F2CYP4A11FFAR1 | |
| SCHEMBL9121493 | 0.82 | FFAR1 (0.66) | LTA4HEPHX2FFAR1BCHEMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-6989465-B1 | S-(−)-1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of S-(−)betaxolo | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-01-24 | — | — | US | disclosed |