Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TACR3 | P29371 | 10/20 | 0.34 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL7952559 | 0.84 | CYP2C9 (0.44) | CYP2C9TACR3PDE2A | |
| SCHEMBL11917796 | 0.84 | CYP2C9 (0.44) | CYP2C9TACR3PDE2A | |
| SCHEMBL2310390 | 0.82 | CYP2C9 (0.39) | CYP2C9TACR3PDE2A | |
| SCHEMBL2149069 | 0.82 | CYP2C9 (0.36) | CYP2C9TACR3 | |
| SCHEMBL3380867 | 0.81 | CYP2C9 (0.36) | CYP2C9TACR3 | |
| SCHEMBL2148919 | 0.81 | CYP2C9 (0.39) | CYP2C9TACR3PDE2A | |
| SCHEMBL11917798 | 0.81 | CYP2C9 (0.47) | CYP2C9TACR3PDE2A | |
| SCHEMBL3235809 | 0.81 | CYP2C9 (0.39) | CYP2C9TACR3 | |
| SCHEMBL3379662 | 0.81 | CYP2C9 (0.36) | CYP2C9TACR3PDE2A | |
| SCHEMBL2306426 | 0.81 | CYP2C9 (0.35) | CYP2C9TACR3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | claimed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | claimed |
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |