Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
| ▸ | ADK | P55263 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | MAT2A | P31153 | 1/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6002664 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2652422 | 0.81 | NISCH (0.50) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL722191 | 0.79 | NISCH (0.78) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL862114 | 0.77 | NISCH (0.75) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6002633 | 0.77 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14599590 | 0.77 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL771769 | 0.77 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1288638 | 0.76 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1386454 | 0.76 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Bromide SCHEMBL28346147 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1635813-A4 | COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA | MERCK & CO INC (US) | 2009-07-01 | — | — | EP | disclosed |
| EP-1799241-A2 | COMBINATION THERAPY FOR THE TREATMENT OF OBESITY | Merck & Co., Inc. (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006036770-A2 | COMBINATION THERAPY FOR THE TREATMENT OF OBESITY | MERCK & CO., INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| EP-1635832-A2 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | Merck & Co., Inc. (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1635813-A2 | COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA | Merck & Co. Inc. (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1635773-A2 | COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION | Merck & Co., Inc. (a New Jersey corp.) (US) | 2006-03-22 | — | — | EP | disclosed |
| WO-2005000217-A2 | COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA | MERCK & CO., INC. (US) | 2005-01-06 | — | — | WO | disclosed |
| WO-2004110375-A2 | COMBINATION THERAPY FOR THE TREATMENT OF DIABETES | MERCK & CO., INC. (US) | 2004-12-23 | — | — | WO | disclosed |
| WO-2004110368-A2 | COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION | MERCK & CO., INC. (US) | 2004-12-23 | — | — | WO | disclosed |