Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 10/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 3/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1364142 | 1.00 | CYP2C9 (0.44) | CYP2C9TACR3SMYD3PDE2AOPRL1 | |
| SCHEMBL1364043 | 0.88 | CYP2C9 (0.44) | CYP2C9TACR3 | |
| SCHEMBL1364413 | 0.86 | CYP2C9 (0.45) | CYP2C9TACR3PDE2A | |
| SCHEMBL1366995 | 0.86 | CYP2C9 (0.45) | CYP2C9TACR3PPARG | |
| SCHEMBL1364305 | 0.85 | CYP2C9 (0.46) | CYP2C9TACR3PDE2A | |
| SCHEMBL1364253 | 0.85 | CYP2C9 (0.45) | CYP2C9TACR3PDE2APPARG | |
| SCHEMBL1366497 | 0.85 | CYP2C9 (0.43) | CYP2C9TACR3PDE2APPARG | |
| SCHEMBL2149840 | 0.84 | CYP2C9 (0.47) | CYP2C9TACR3OPRL1PPARG | |
| SCHEMBL11917800 | 0.84 | CYP2C9 (0.47) | CYP2C9TACR3OPRL1PPARG | |
| SCHEMBL11917814 | 0.84 | CYP2C9 (0.47) | CYP2C9TACR3PDE2AOPRL1PPARG |
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 |