Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18458869 | 0.85 | RECQL (0.33) | KLKB1MAP4K1ALDH1A1ADORA3ADORA1 | |
| SCHEMBL19780614 | 0.81 | KDM4E (0.36) | KLKB1MAP4K1 | |
| SCHEMBL19780469 | 0.80 | PTGDR2 (0.38) | KLKB1MAP4K1 | |
| SCHEMBL21027836 | 0.75 | ALDH1A1 (0.40) | KLKB1MAP4K1ALDH1A1 | |
| SCHEMBL3114113 | 0.75 | RPS6KA3 (0.37) | ALDH1A1ADORA3ADORA1NOS3NOS1 | |
| SCHEMBL3103568 | 0.75 | CYP3A4 (0.43) | ALDH1A1ADORA3ADORA1 | |
| SCHEMBL19783747 | 0.71 | PARP1 (0.39) | PARP1 | |
| SCHEMBL22276493 | 0.70 | CYP1A2 (0.41) | KLKB1MAP4K1ALDH1A1 | |
| SCHEMBL24368249 | 0.70 | CCR1 (0.51) | PARP1ALDH1A1 | |
| SCHEMBL18458802 | 0.70 | PSMD14 (0.44) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018011628-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2018-01-18 | — | — | WO | disclosed |