Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.56 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | RARA | P10276 | 8/20 | 0.50 |
| ▸ | RARB | P10826 | 8/20 | 0.50 |
| ▸ | RARG | P13631 | 8/20 | 0.50 |
| ▸ | ADH5 | P11766 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9060639 | 0.92 | S1PR1 (0.60) | NR1H4S1PR1RARARARBRARG | |
| SCHEMBL326891 | 0.85 | NR1H4 (0.64) | NR1H4S1PR1RARARARBRARG | |
| SCHEMBL5122825 | 0.84 | NR1H4 (0.60) | NR1H4S1PR1RARARARBRARG | |
| SCHEMBL2774725 | 0.81 | NR1H4 (0.74) | NR1H4S1PR1RARARARBRARG | |
| SCHEMBL7829448 | 0.80 | KDM4E (0.52) | NR1H4S1PR1RARARARBRARG | |
| SCHEMBL5465792 | 0.80 | PLK1 (0.52) | NR1H4S1PR1RARARARBRARG | |
| SCHEMBL7830185 | 0.80 | NR1H4 (0.48) | NR1H4S1PR1RARARARBRARG | |
| SCHEMBL31628308 | 0.79 | ADH5 (0.56) | RARARARBRARGADH5TP53 | |
| SCHEMBL31084426 | 0.77 | RXRA (0.58) | RARARARBRARGADH5 | |
| SCHEMBL26323604 | 0.77 | RXRA (0.58) | RARARARBRARGADH5 |
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 7 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 |
| US-5801170-A | Heterocyclic biphenylylamides useful as 5HT1D antagonists | SMITHKLINE BEECHAM PLC (GB) | 1998-09-01 | — | — | 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 |
| EP-0733048-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-09-25 | — | — | 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 |
| WO-1995015954-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-06-15 | — | — | WO | disclosed |