Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | F2RL3 | Q96RI0 | 3/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680810 | 0.84 | HSD17B1 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19HSD17B1 | |
| SCHEMBL13680809 | 0.81 | GRIN1 (0.41) | GRIN1GRIN2BMRGPRX4 | |
| SCHEMBL13680786 | 0.81 | CHRM2 (0.46) | CHRM2CHRM1CHRM3AGXTSLC13A5 | |
| SCHEMBL13680797 | 0.79 | CYP11B2 (0.38) | GRIN1GRIN2BAGXTCYP4F2CYP4A11 | |
| SCHEMBL13680845 | 0.78 | SCN9A (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL13680808 | 0.77 | EPHX2 (0.38) | BACE1GRIN1GRIN2BCYP4F2CYP4A11 | |
| SCHEMBL13680811 | 0.73 | HIF1A (0.48) | CYP1A2CYP3A4HSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL13680445 | 0.73 | HSD17B1 (0.46) | CTSDBACE1BACE2HSD17B1HSD17B2 | |
| SCHEMBL13680787 | 0.73 | AGXT (0.56) | AGXTSLC13A5 | |
| SCHEMBL13680901 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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 |