Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL13680620 | 0.78 | PRF1 (0.55) | PTGS1PTGS2GLAMAPT | |
| SCHEMBL13680629 | 0.78 | GSK3B (0.52) | GLAGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL13681043 | 0.77 | HSD17B1 (0.42) | HSD17B1CYP1A2CYP11B1CYP11B2CASP1 | |
| SCHEMBL2439734 | 0.74 | CYP1A2 (0.49) | HSD17B1CYP1A2CYP11B1CYP11B2PTGS2 | |
| SCHEMBL28655414 | 0.74 | HSD17B1 (0.78) | HSD17B1CYP1A2CYP11B1CYP11B2CASP1 | |
| SCHEMBL2443326 | 0.74 | CYP1A2 (0.51) | HSD17B1CYP1A2CYP11B1CYP11B2PTGS1 | |
| SCHEMBL13680668 | 0.72 | CYP1A2 (0.50) | HSD17B1CYP1A2CYP11B1CYP11B2CASP1 | |
| SCHEMBL2432038 | 0.72 | CYP1A2 (0.50) | HSD17B1CYP1A2CYP11B1CYP11B2CASP1 | |
| SCHEMBL13680623 | 0.72 | NPC1 (0.41) | GLAGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL13680630 | 0.72 | PDE3B (0.57) | CYP1A2CYP11B1CYP11B2PGRNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |