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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | FASN | P49327 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27330492 | 0.97 | SLC7A11 (0.63) | SLC7A11NPSR1FASNALDH1A1MAPT | |
| SCHEMBL8067259 | 0.88 | FASN (0.52) | SLC7A11NPSR1FASNALDH1A1MAPT | |
| Alcohol SCHEMBL8057903 | 0.84 | SLC7A11 (0.68) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 | |
| Alcohol SCHEMBL8997978 | 0.84 | SLC7A11 (0.68) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 | |
| SCHEMBL8067345 | 0.80 | SLC7A11 (0.70) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 | |
| SCHEMBL8067342 | 0.80 | SLC7A11 (0.70) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 | |
| SCHEMBL8058555 | 0.77 | SLC7A11 (0.71) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 | |
| SCHEMBL8058554 | 0.77 | SLC7A11 (0.71) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 | |
| SCHEMBL8057929 | 0.76 | SLC7A11 (0.70) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 | |
| SCHEMBL8068378 | 0.76 | SLC7A11 (0.70) | SLC7A11ALDH1A1MAPTCYP2C9MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0613468-B1 | Substituted salicylic acids for the treatment of autoimmune diseases | PHARMACIA & UPJOHN AB (SE) | 2000-07-12 | — | — | EP | disclosed |
| US-5556855-A | TREATMENT OF AUTOIMMUNE DISEASES | PHARMACIA AB (SE) | 1996-09-17 | — | — | US | disclosed |
| US-5403930-A | Chemical intermediate for drugs used in autoimmune diseases | PHARMACIA AB (SE) | 1995-04-04 | — | — | US | disclosed |
| US-5302718-A | Used for treating autoimmune diseases | KABI PHARMACIA AB (SE) | 1994-04-12 | — | — | US | disclosed |