Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29756191 | 0.78 | DRD2 (0.63) | DRD2DRD4KDM4EALDH1A1S1PR1 | |
| SCHEMBL28403784 | 0.78 | DRD2 (0.63) | DRD2DRD4KDM4EALDH1A1S1PR1 | |
| SCHEMBL27604500 | 0.77 | NISCH (0.49) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL4525557 | 0.73 | PDE3B (0.56) | DRD2DRD4KDM4EALDH1A1PDE3B | |
| SCHEMBL722191 | 0.72 | NISCH (0.78) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL27586687 | 0.72 | DYRK1A (0.50) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL26260184 | 0.71 | NISCH (0.59) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL508525 | 0.71 | TAAR1 (0.49) | DRD2DRD4JAK2JAK3HRH3 | |
| SCHEMBL4533554 | 0.71 | CDK2 (0.52) | DRD2DRD4KDM4EALDH1A1S1PR1 | |
| SCHEMBL1436033 | 0.70 | KDM4E (0.63) | DRD2DRD4KDM4EALDH1A1PDE3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5538973-A | ANTIHISTAMINE, THROMBOXANE A2 ANTAGONIST | KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| EP-0597112-A1 | NOVEL IMIDAZOLE DERIVATIVE, PHARMACEUTICAL USE THEREOF, AND INTERMEDIATE THEREFOR | Kyoto Pharmaceutical Industries, Ltd. (JP) | 1994-05-18 | — | — | EP | disclosed |