Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.53 |
| ▸ | ADH5 | P11766 | 2/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | CHUK | O15111 | 2/20 | 0.44 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8796720 | 0.91 | ADH5 (0.51) | CYP17A1ADH5MAPK14GAAHPGD | |
| SCHEMBL6099629 | 0.86 | POLB (0.56) | CYP17A1HPGDRECQLMAPK8SMN1; SMN2 | |
| SCHEMBL4661111 | 0.83 | CYP17A1 (0.56) | CYP17A1GAAHPGDALDH1A1CHUK | |
| SCHEMBL2038889 | 0.82 | CYP17A1 (0.51) | CYP17A1GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL28789043 | 0.82 | BRD4 (0.55) | CYP17A1GAAALDH1A1CHUKIKBKB | |
| SCHEMBL2044935 | 0.81 | KIF11 (0.59) | HPGDRECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL3379840 | 0.81 | TNIK (0.54) | CYP17A1HPGDALDH1A1CHUKIKBKB | |
| SCHEMBL4436251 | 0.79 | CYP1A2 (0.52) | ADH5MAPK14HPGDALDH1A1RARB | |
| SCHEMBL118340 | 0.79 | KEAP1 (0.59) | GAAHPGDRECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL2036137 | 0.79 | RARB (0.51) | ADH5GAAHPGDRECQLRARB |
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 3 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 |