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 | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.48 |
| ▸ | SLC7A11 | Q9UPY5 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 SCHEMBL8057903 | 1.00 | SLC7A11 (0.68) | SLC7A11KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8057906 | 0.87 | SLC7A11 (0.56) | SLC7A11KDM4EALDH1A1LMNASMN1; SMN2 | |
| Alcohol SCHEMBL8067256 | 0.84 | SLC7A11 (0.60) | SLC7A11ALDH1A1LMNAPOLBMAPT | |
| SCHEMBL8068375 | 0.82 | SLC7A11 (0.70) | SLC7A11KDM4EALDH1A1LMNAKMT2A | |
| SCHEMBL8068378 | 0.82 | SLC7A11 (0.70) | SLC7A11KDM4EALDH1A1LMNAKMT2A | |
| SCHEMBL8068359 | 0.81 | SLC7A11 (1.00) | SLC7A11KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8067761 | 0.81 | SLC7A11 (1.00) | SLC7A11KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL27330492 | 0.81 | SLC7A11 (0.63) | SLC7A11ALDH1A1LMNASMN1; SMN2POLB | |
| SCHEMBL8071847 | 0.81 | SLC7A11 (0.75) | SLC7A11KDM4EALDH1A1LMNAPOLB | |
| SCHEMBL8071849 | 0.81 | SLC7A11 (0.75) | SLC7A11KDM4EALDH1A1LMNAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |