Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 14/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 7/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL1717156 | 0.89 | TACR3 (0.44) | TACR3KCNK3TACR2OPRM1CYP1A2 | |
| SCHEMBL1717791 | 0.88 | PIK3CD (0.38) | PIK3CDPIK3CGPIK3R1TACR3KCNK3 | |
| SCHEMBL1717177 | 0.87 | PIK3CD (0.46) | PIK3CDPIK3CGPIK3R1TACR3TACR2 | |
| SCHEMBL1717877 | 0.86 | PIK3CD (0.47) | PIK3CDPIK3CGPIK3R1TACR3TACR2 | |
| SCHEMBL1717325 | 0.86 | PIK3CD (0.47) | PIK3CDPIK3CGPIK3R1TACR3TACR2 | |
| SCHEMBL1718259 | 0.85 | TACR3 (0.43) | TACR3KCNK3TACR2OPRM1CYP1A2 | |
| SCHEMBL1717752 | 0.85 | TACR3 (0.44) | TACR3KCNK3TACR2OPRM1CYP1A2 | |
| SCHEMBL1717482 | 0.84 | TACR3 (0.48) | PIK3CDPIK3CGPIK3R1TACR3TACR2 | |
| SCHEMBL1717181 | 0.84 | TACR3 (0.46) | TACR3KCNK3TACR2OPRM1CYP1A2 | |
| SCHEMBL2677117 | 0.84 | THRB (0.40) | PIK3CDPIK3CGMEN1TSHRKMT2A |
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 |