Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 10/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1550964 | 0.96 | TACR3 (0.44) | TACR3CYP2C9CNR2 | |
| SCHEMBL1366126 | 0.93 | CNR2 (0.44) | TACR3CYP2C9CNR2OPRL1 | |
| SCHEMBL1366128 | 0.93 | CNR2 (0.44) | TACR3CYP2C9CNR2OPRL1 | |
| SCHEMBL1551212 | 0.91 | TACR3 (0.41) | TACR3CYP2C9CNR2OPRL1 | |
| SCHEMBL2149425 | 0.90 | TACR3 (0.40) | TACR3CYP2C9CNR2OPRL1 | |
| SCHEMBL1366886 | 0.89 | TACR3 (0.46) | TACR3CYP2C9CNR2 | |
| SCHEMBL1366889 | 0.89 | TACR3 (0.46) | TACR3CYP2C9CNR2 | |
| SCHEMBL2149700 | 0.87 | TACR3 (0.44) | TACR3CYP2C9CNR2 | |
| SCHEMBL1551228 | 0.86 | TACR3 (0.43) | TACR3CYP2C9CNR2 | |
| SCHEMBL1550112 | 0.84 | CNR2 (0.43) | TACR3CYP2C9CNR2OPRL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350015-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-08-03 | — | — | EP | disclosed |
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | disclosed |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |