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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7944061 | 0.95 | ALDH1A1 (0.52) | CYP1A2LMNAAGTR1KDM4EALDH1A1 | |
| SCHEMBL27396033 | 0.85 | USP2 (0.69) | LMNAAGTR1ALDH1A1TSHRMAPK1 | |
| Phenoxyethanol SCHEMBL6860248 | 0.83 | ALDH1A1 (0.66) | CYP1A2LMNAAGTR1KDM4EALDH1A1 | |
| SCHEMBL12677506 | 0.82 | HSP90AB1 (0.48) | LMNAAGTR1KDM4EALDH1A1TSHR | |
| SCHEMBL10072289 | 0.81 | LMNA (0.52) | CYP1A2LMNAKDM4EALDH1A1RECQL | |
| SCHEMBL9558385 | 0.81 | AR (0.49) | LMNAAGTR1KDM4EALDH1A1TSHR | |
| Ether SCHEMBL9517511 | 0.80 | TSHR (0.57) | CYP1A2LMNAAGTR1KDM4ETSHR | |
| SCHEMBL7147302 | 0.80 | LMNA (0.69) | LMNAALDH1A1RECQLCHRNB2CHRNB4 | |
| SCHEMBL16134311 | 0.79 | ADRB1 (0.55) | KDM4EALDH1A1HTTSMN1; SMN2POLB | |
| SCHEMBL16134304 | 0.79 | ADRB1 (0.55) | KDM4EALDH1A1HTTSMN1; SMN2POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2731606-A1 | GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE | Allergan, Inc. (US) | 2014-05-21 | — | — | EP | disclosed |
| WO-2013010032-A1 | GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE | ALLERGAN, INC. (US) | 2013-01-17 | — | — | WO | disclosed |