Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL1679543 | 0.78 | ABL1 (0.44) | — | |
| SCHEMBL11796399 | 0.76 | GABRA1 (0.39) | GABRA1GABRB2PDCD1CD274CYP2C9 | |
| SCHEMBL6908927 | 0.75 | GABRA1 (0.44) | GABRA1GABRB2 | |
| SCHEMBL533409 | 0.74 | DPP4 (0.42) | GABRA1GABRB2PDCD1CD274 | |
| Water SCHEMBL27696696 | 0.73 | PDCD1 (0.48) | GABRA1GABRB2PDCD1CD274CYP2C9 | |
| SCHEMBL27829682 | 0.72 | GABRA1 (0.46) | GABRA1GABRB2 | |
| Water SCHEMBL27537455 | 0.72 | PDCD1 (0.47) | GABRA1GABRB2PDCD1CD274CYP2C9 | |
| SCHEMBL736615 | 0.71 | DPP4 (0.47) | PDCD1CD274 | |
| SCHEMBL473270 | 0.71 | PDCD1 (0.50) | GABRA1GABRB2PDCD1CD274CYP2C9 | |
| SCHEMBL21753489 | 0.70 | DPP4 (0.34) | PDCD1CD274 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1806332-A1 | BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS | Daiichi Sankyo Company, Limited (JP) | 2007-07-11 | — | — | EP | disclosed |