Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH5 | P11766 | 2/20 | 0.45 |
| ▸ | RARB | P10826 | 3/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | RARG | P13631 | 3/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | OXTR | P30559 | 3/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.39 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.39 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7462261 | 0.83 | LSS (0.47) | — | |
| SCHEMBL31628308 | 0.78 | ADH5 (0.56) | ADH5RARBHSD17B1RARGRXRA | |
| SCHEMBL26323620 | 0.76 | RXRA (0.58) | ADH5RARBHSD17B1RARGRXRA | |
| SCHEMBL31084426 | 0.76 | RXRA (0.58) | ADH5RARBHSD17B1RARGRXRA | |
| SCHEMBL26323604 | 0.76 | RXRA (0.58) | ADH5RARBHSD17B1RARGRXRA | |
| SCHEMBL31084430 | 0.76 | RXRA (0.58) | ADH5RARBHSD17B1RARGRXRA | |
| SCHEMBL11507830 | 0.75 | RARB (0.63) | ADH5RARBHSD17B1RARGRXRA | |
| SCHEMBL15255950 | 0.75 | KMO (0.50) | RXRARXRBKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL14540358 | 0.73 | RARB (0.61) | ADH5RARBHSD17B1RARGRXRA | |
| SCHEMBL3743914 | 0.72 | ALDH1A1 (0.57) | ADH5RARBHSD17B1RARGRXRA |
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 |