Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 8/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.55 |
| ▸ | CYP24A1 | Q07973 | 3/20 | 0.55 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7798239 | 0.87 | CYP26A1 (0.57) | CYP26A1CYP19A1CYP24A1DGAT1ITGB3 | |
| SCHEMBL9854906 | 0.86 | CYP19A1 (0.53) | CYP26A1CYP19A1CYP24A1ALDH1A1TP53 | |
| SCHEMBL9855296 | 0.86 | CYP24A1 (0.63) | CYP26A1CYP19A1CYP24A1ITGB3ITGA2B | |
| SCHEMBL4622497 | 0.83 | CYP26A1 (0.70) | CYP26A1CYP19A1CYP24A1DGAT1ITGB3 | |
| SCHEMBL14454770 | 0.83 | ITGB3 (0.53) | CYP26A1CYP24A1DGAT1ITGB3ITGA2B | |
| SCHEMBL13047955 | 0.82 | ESR1 (0.55) | — | |
| SCHEMBL3747845 | 0.82 | ESR1 (0.55) | — | |
| SCHEMBL6644734 | 0.82 | ALDH1A1 (0.52) | CYP19A1CYP24A1DGAT1ALDH1A1SMN1; SMN2 | |
| SCHEMBL31374633 | 0.82 | ALDH1A1 (0.52) | CYP19A1CYP24A1DGAT1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3413338 | 0.82 | ESR1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4983628-A | ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1991-01-08 | — | — | US | disclosed |
| EP-0140684-B1 | LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1990-07-11 | — | — | EP | disclosed |
| US-4683325-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS | MERCK FROSST CANADA, INC. (CA) | 1987-07-28 | — | — | US | disclosed |
| EP-0140684-A2 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1985-05-08 | — | — | EP | disclosed |