Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH5 | P11766 | 2/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 2/20 | 0.41 |
| ▸ | RARG | P13631 | 2/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| SCHEMBL7448719 | 0.80 | MAPK14 (0.57) | ADH5RARBRARARARGMYC | |
| SCHEMBL31628308 | 0.79 | ADH5 (0.56) | ADH5MAP4K4RARBGAAKDM4E | |
| SCHEMBL31084430 | 0.77 | RXRA (0.58) | ADH5MAP4K4RARBKDM4EHSD17B1 | |
| SCHEMBL26323620 | 0.77 | RXRA (0.58) | ADH5MAP4K4RARBKDM4EHSD17B1 | |
| SCHEMBL31084426 | 0.77 | RXRA (0.58) | ADH5MAP4K4RARBKDM4EHSD17B1 | |
| SCHEMBL26323604 | 0.77 | RXRA (0.58) | ADH5MAP4K4RARBKDM4EHSD17B1 | |
| SCHEMBL14339149 | 0.77 | RARA (0.38) | RARBGAAKDM4EALDH1A1RARA | |
| SCHEMBL31607764 | 0.77 | NR1H4 (0.51) | KDM4EALDH1A1L3MBTL1NR1H4MYC | |
| SCHEMBL2010645 | 0.77 | NR1H4 (0.51) | KDM4EALDH1A1L3MBTL1NR1H4MYC | |
| SCHEMBL7831445 | 0.76 | GSK3B (0.64) | ADH5RARBGAAKDM4EALDH1A1 |
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 |