Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.58 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | TYMP | P19971 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27586670 | 0.84 | NISCH (0.63) | NISCHBRD4MTORADKALDH1A1 | |
| SCHEMBL1838153 | 0.83 | NISCH (0.58) | NISCHBRD4MTORADKALDH1A1 | |
| Hydrochloric Acid SCHEMBL27817951 | 0.81 | NISCH (0.56) | NISCHBRD4MTORADKALDH1A1 | |
| SCHEMBL1688702 | 0.79 | NISCH (0.58) | NISCHBRD4MTORADKALDH1A1 | |
| SCHEMBL9495458 | 0.77 | NISCH (0.54) | NISCHBRD4MTORADKALDH1A1 | |
| SCHEMBL3649556 | 0.76 | NISCH (0.58) | NISCHBRD4MTORADKALDH1A1 | |
| SCHEMBL27586669 | 0.76 | NISCH (0.49) | NISCHBRD4MTORADKALDH1A1 | |
| SCHEMBL28067582 | 0.76 | NISCH (0.49) | NISCHBRD4MTORADKALDH1A1 | |
| SCHEMBL3368911 | 0.76 | SMPD3 (0.56) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL12589860 | 0.76 | NISCH (0.53) | NISCHBRD4MTORADKALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0799226-B1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2001-02-07 | — | — | EP | disclosed |
| US-5972951-A | Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists | SMITHKLINE BEECHAM PLC (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0799226-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019477-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-06-27 | — | — | WO | disclosed |