Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 18/20 | 0.52 |
| ▸ | TACR2 | P21452 | 4/20 | 0.47 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1718355 | 0.93 | TACR3 (0.51) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1717723 | 0.92 | TACR3 (0.50) | TACR3TACR2SLC6A9CYP1A2CYP3A4 | |
| SCHEMBL1718019 | 0.89 | TACR3 (0.52) | TACR3TACR2SLC6A9CYP1A2CYP3A4 | |
| SCHEMBL1718058 | 0.86 | TACR3 (0.47) | TACR3TACR2OPRM1 | |
| SCHEMBL1718849 | 0.85 | TACR3 (0.55) | TACR3TACR2OPRM1 | |
| SCHEMBL1717866 | 0.85 | TACR3 (0.49) | TACR3TACR2OPRM1ALDH1A1HSD17B10 | |
| SCHEMBL1717542 | 0.84 | TACR3 (0.48) | TACR3TACR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1718670 | 0.83 | TACR3 (0.43) | TACR3TACR2OPRM1 | |
| SCHEMBL1717245 | 0.83 | KCNK3 (0.45) | TACR3TACR2OPRM1MAPK1 | |
| SCHEMBL1717634 | 0.83 | TACR3 (0.47) | TACR3TACR2CYP1A2CYP3A4CYP2C9 |
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 1 patent. 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 | disclosed |