Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 10/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 3/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12149114 | 1.00 | CYP2C9 (0.44) | CYP2C9TACR3PPARGWDR5GRIN1 | |
| SCHEMBL1366381 | 0.90 | CYP2C9 (0.45) | CYP2C9TACR3PPARGWDR5GRIN1 | |
| SCHEMBL1364253 | 0.88 | CYP2C9 (0.45) | CYP2C9TACR3PPARGGRIN1GRIN2B | |
| SCHEMBL1364576 | 0.88 | CYP2C9 (0.45) | CYP2C9TACR3APLNR | |
| SCHEMBL12149136 | 0.88 | CYP2C9 (0.43) | CYP2C9TACR3PPARGWDR5 | |
| SCHEMBL12149149 | 0.87 | CYP2C9 (0.45) | CYP2C9TACR3PPARG | |
| SCHEMBL7911640 | 0.87 | CYP2C9 (0.44) | CYP2C9TACR3PPARGWDR5SMYD3 | |
| SCHEMBL7913126 | 0.86 | CYP2C9 (0.43) | CYP2C9TACR3WDR5RIPK1 | |
| SCHEMBL1364148 | 0.86 | CYP2C9 (0.43) | CYP2C9TACR3PPARGWDR5 | |
| SCHEMBL11917814 | 0.86 | CYP2C9 (0.47) | CYP2C9TACR3PPARGRIPK1 |
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-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |