Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 10/20 | 0.43 |
| ▸ | TACR2 | P21452 | 8/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | DRD4 | P21917 | 4/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.40 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1718064 | 0.89 | CCR5 (0.46) | TACR3TACR2OPRM1HTR7CYP1A2 | |
| SCHEMBL1717543 | 0.89 | HTR7 (0.46) | TACR3TACR2OPRM1HTR7KDM4E | |
| SCHEMBL1717610 | 0.87 | HTR7 (0.49) | TACR3DRD2HTR7CYP1A2CYP3A4 | |
| SCHEMBL1718231 | 0.86 | TACR3 (0.49) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717174 | 0.86 | TACR3 (0.46) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717859 | 0.85 | TACR3 (0.48) | TACR3TACR2OPRM1KCNK3CYP1A2 | |
| SCHEMBL1717555 | 0.85 | TACR3 (0.48) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717937 | 0.85 | TACR3 (0.54) | TACR3TACR2OPRM1KCNK3CYP1A2 | |
| SCHEMBL1718057 | 0.85 | TACR3 (0.56) | TACR3TACR2OPRM1KCNK3CYP1A2 | |
| SCHEMBL1718026 | 0.85 | HTR7 (0.50) | TACR3TACR2OPRM1HTR7HTR2A |
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 |