Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | TNKS | O95271 | 1/20 | 0.30 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.30 |
| ▸ | GRIA4 | P48058 | 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 | |
|---|---|---|---|---|
| SCHEMBL511549 | 0.77 | CYP19A1 (0.38) | CYP19A1GRIA4 | |
| SCHEMBL1617559 | 0.75 | TLR4 (0.42) | CYP19A1GRIA4 | |
| SCHEMBL13664709 | 0.73 | HTR3A (0.46) | — | |
| SCHEMBL13664704 | 0.73 | SLC6A2 (0.32) | CYP19A1 | |
| SCHEMBL13664708 | 0.72 | LMNA (0.42) | DRD2 | |
| SCHEMBL24127329 | 0.69 | DRD2 (0.47) | DRD2HTR2AHTR2CKCNH2 | |
| SCHEMBL17080101 | 0.68 | PDE4A (0.41) | CYP19A1 | |
| SCHEMBL13664736 | 0.67 | HTR2A (0.43) | HTR2AHTR2CKCNH2 | |
| SCHEMBL16925444 | 0.66 | — | — | |
| SCHEMBL1617268 | 0.66 | CYP19A1 (0.36) | CYP19A1GRIA4 |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |