Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 8/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20047854 | 0.81 | CYP3A4 (0.46) | ALDH1A1ALOX5PTGS1PTGS2AKR1C3 | |
| SCHEMBL20047856 | 0.81 | CYP3A4 (0.46) | ALDH1A1ALOX5PTGS1PTGS2AKR1C3 | |
| SCHEMBL27620182 | 0.78 | ALOX5 (0.55) | ALDH1A1ALOX5PTGS1PTGS2TUBB1 | |
| SCHEMBL10871325 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ALOX5PTGS1PTGS2TUBB1 | |
| SCHEMBL14026075 | 0.75 | BACE1 (0.51) | ALDH1A1ALOX5PTGS1PTGS2TUBB1 | |
| SCHEMBL28585695 | 0.75 | ALDH1A1 (0.52) | ALDH1A1ALOX5PTGS1PTGS2AKR1C3 | |
| SCHEMBL28586317 | 0.75 | ALDH1A1 (0.52) | ALDH1A1ALOX5PTGS1PTGS2AKR1C3 | |
| SCHEMBL12862819 | 0.75 | TUBB1 (0.51) | ALDH1A1PTGS1PTGS2TUBB1CYP1A2 | |
| SCHEMBL1788343 | 0.74 | ALDH1A1 (0.49) | ALDH1A1PTGS2NPC1RAB9A | |
| SCHEMBL9718073 | 0.74 | TP53 (0.45) | ALDH1A1ALOX5PTGS1PTGS2TUBB1 |
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 |