Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 10/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1551212 | 0.96 | TACR3 (0.41) | TACR3CYP2C9CNR2 | |
| SCHEMBL1716856 | 0.93 | TACR3 (0.46) | TACR3CYP2C9CNR2GPR139 | |
| SCHEMBL1716853 | 0.93 | TACR3 (0.46) | TACR3CYP2C9CNR2GPR139 | |
| SCHEMBL1550964 | 0.91 | TACR3 (0.44) | TACR3CYP2C9CNR2GPR139 | |
| SCHEMBL1550109 | 0.89 | CNR2 (0.43) | TACR3CYP2C9CNR2 | |
| SCHEMBL1550112 | 0.89 | CNR2 (0.43) | TACR3CYP2C9CNR2 | |
| SCHEMBL1551497 | 0.87 | TACR3 (0.41) | TACR3CYP2C9CNR2 | |
| SCHEMBL1551228 | 0.87 | TACR3 (0.43) | TACR3CYP2C9CNR2GPR139 | |
| SCHEMBL3632552 | 0.85 | TACR3 (0.44) | TACR3CYP2C9CNR2GPR139 | |
| SCHEMBL1366889 | 0.83 | TACR3 (0.46) | TACR3CYP2C9CNR2GPR139 |
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 | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |