Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15117072 | 0.80 | NPC1 (0.64) | CYP1A2CYP2C9MEN1NPC1ALDH1A1 | |
| SCHEMBL15026739 | 0.79 | HDAC3 (0.46) | HDAC3HDAC6NCOR2MAPK14GSK3B | |
| SCHEMBL10067982 | 0.79 | S1PR1 (0.48) | S1PR1CYP1A2TYMPNPC1ALDH1A1 | |
| SCHEMBL26107873 | 0.79 | HDAC3 (0.65) | HDAC3HDAC6NCOR2MAPK14GSK3B | |
| SCHEMBL15299350 | 0.78 | HDAC3 (0.60) | HDAC3HDAC6NCOR2MAPK14AOC3 | |
| SCHEMBL22052709 | 0.76 | ALDH1A1 (0.64) | HDAC3HDAC6NCOR2CYP1A2CYP2C9 | |
| SCHEMBL3340613 | 0.76 | MAPK14 (0.47) | HDAC3HDAC6NCOR2MAPK14GSK3B | |
| SCHEMBL13545717 | 0.74 | NOTUM (0.52) | HDAC3HDAC6NCOR2NPC1RAB9A | |
| SCHEMBL1039187 | 0.74 | NR1H2 (0.59) | HDAC3HDAC6NCOR2MAPK14AOC3 | |
| SCHEMBL18533192 | 0.73 | MAPT (0.49) | S1PR1CYP1A2TYMPMEN1NPC1 |
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-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 |
| 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 |
| US-5510350-A | USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS | GLAXO GROUP LIMITED (GB) | 1996-04-23 | — | — | US | disclosed |
| US-5340810-A | Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system | GLAXO GROUP LIMITED (GB) | 1994-08-23 | — | — | US | disclosed |
| EP-0533268-A1 | Benzanilide derivatives as 5-HT1D antagonists | GLAXO GROUP LIMITED (GB) | 1993-03-24 | — | — | EP | disclosed |