Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 10/20 | 0.41 |
| ▸ | BUB1 | O43683 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.39 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | MARK3 | P27448 | 1/20 | 0.38 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.38 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28460770 | 0.86 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL23303434 | 0.84 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL29780523 | 0.84 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL22036737 | 0.81 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL6027788 | 0.77 | NR1H2 (0.45) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL18812369 | 0.76 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL14770871 | 0.75 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL26819799 | 0.75 | PIK3R1 (0.54) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 | |
| SCHEMBL24697208 | 0.75 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL15417099 | 0.74 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2 |
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-2635563-A1 | CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B]PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2013-09-11 | — | — | EP | disclosed |
| EP-2496559-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | Vitae Pharmaceuticals, Inc. (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2012061708-A1 | CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B] PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-10 | — | — | WO | disclosed |
| WO-2011057054-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | VITAE PHARMACEUTICALS, INC. (US) | 2011-05-12 | — | — | WO | disclosed |