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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30881298 | 0.95 | CA12 (0.47) | ALDH1A1CA12CA9CHRM2KMT2A | |
| SCHEMBL292179 | 0.95 | CA12 (0.47) | ALDH1A1CA12CA9CHRM2KMT2A | |
| SCHEMBL27287808 | 0.81 | DRD3 (0.47) | ALDH1A1DRD3CHRM2KMT2A | |
| SCHEMBL30280109 | 0.81 | CA12 (0.44) | ALDH1A1CA12CA9CHRM2KMT2A | |
| SCHEMBL4711840 | 0.81 | CA12 (0.44) | ALDH1A1CA12CA9CHRM2KMT2A | |
| SCHEMBL30444643 | 0.79 | CA12 (0.46) | ALDH1A1CA12CA9CHRM2KMT2A | |
| SCHEMBL30881309 | 0.78 | GLS (0.49) | CA12CA9 | |
| SCHEMBL9055216 | 0.78 | GLS (0.49) | CA12CA9 | |
| SCHEMBL3727196 | 0.77 | CHRM2 (0.56) | ALDH1A1CA12CA9CHRM2 | |
| SCHEMBL28964583 | 0.77 | CHRM2 (0.51) | ALDH1A1CA12CA9CHRM2KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0472181-B1 | 5-Amine substituted adenosine analogs as immunosuppressants | MERRELL PHARMA INC (US) | 1996-10-02 | — | — | EP | disclosed |
| US-5416076-A | S-adenosyl methionine decarboxylase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-05-16 | — | — | US | disclosed |
| US-5308837-A | 5'-amine substituted adenosine analogs as immunosuppressants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-05-03 | — | — | US | disclosed |
| EP-0472181-A2 | 5-Amine substituted adenosine analogs as immunosuppressants | MERRELL PHARMACEUTICALS INC. (US) | 1992-02-26 | — | — | EP | disclosed |
| EP-0358536-A2 | Novel S-adenosyl methionine decarboxylase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1990-03-14 | — | — | EP | disclosed |
| EP-0351475-A1 | S-Adenosylmethionine decarboxylase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-01-24 | — | — | EP | disclosed |