Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADH5 | P11766 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 5/20 | 0.43 |
| ▸ | RARA | P10276 | 4/20 | 0.43 |
| ▸ | RARG | P13631 | 4/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22628897 | 0.87 | ALDH1A1 (0.54) | KDM4EALDH1A1USP2TSHRLMNA | |
| SCHEMBL31628308 | 0.80 | ADH5 (0.56) | KDM4EALDH1A1TSHRADH5GAA | |
| SCHEMBL7445897 | 0.80 | NR1H4 (0.56) | ADH5NR1H4RARBRARARARG | |
| SCHEMBL31084430 | 0.78 | RXRA (0.58) | KDM4ELMNAADH5RARBRARA | |
| SCHEMBL26323604 | 0.78 | RXRA (0.58) | KDM4ELMNAADH5RARBRARA | |
| SCHEMBL31084426 | 0.78 | RXRA (0.58) | KDM4ELMNAADH5RARBRARA | |
| SCHEMBL26323620 | 0.78 | RXRA (0.58) | KDM4ELMNAADH5RARBRARA | |
| SCHEMBL7830185 | 0.78 | NR1H4 (0.48) | KDM4EALDH1A1ADH5ABCB1ABCC1 | |
| SCHEMBL5465792 | 0.78 | PLK1 (0.52) | KDM4EALDH1A1TSHRLMNAADH5 | |
| SCHEMBL7831445 | 0.77 | GSK3B (0.64) | KDM4EALDH1A1ADH5GAAL3MBTL1 |
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 |