Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 14/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.34 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL1718129 | 0.93 | TACR3 (0.47) | TACR3CYP2C9SMYD3 | |
| SCHEMBL1717677 | 0.90 | TACR3 (0.39) | TACR3CYP2C9SMYD3HTR6 | |
| SCHEMBL1718774 | 0.87 | TACR3 (0.46) | TACR3CYP2C9 | |
| SCHEMBL1717956 | 0.86 | TACR3 (0.45) | TACR3CYP2C9SMYD3 | |
| SCHEMBL1717589 | 0.85 | TACR3 (0.45) | TACR3CYP2C9 | |
| SCHEMBL1718525 | 0.84 | TACR3 (0.46) | TACR3CYP2C9SMYD3 | |
| SCHEMBL4754548 | 0.84 | TACR3 (0.51) | TACR3CYP2C9 | |
| SCHEMBL1717621 | 0.83 | TACR3 (0.46) | TACR3CYP2C9 | |
| SCHEMBL1717668 | 0.83 | TACR3 (0.46) | TACR3CYP2C9 | |
| SCHEMBL1718857 | 0.82 | TACR3 (0.40) | TACR3CYP2C9SMYD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | claimed |
| EP-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | disclosed |