Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 11/20 | 0.44 |
| ▸ | TACR2 | P21452 | 5/20 | 0.44 |
| ▸ | TACR3 | P29371 | 5/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1717745 | 0.93 | TACR3 (0.47) | KCNK3TACR2TACR3OPRM1NPSR1 | |
| SCHEMBL1717085 | 0.92 | TACR3 (0.49) | KCNK3TACR2TACR3OPRM1CYP2C9 | |
| SCHEMBL1717906 | 0.92 | TACR3 (0.46) | KCNK3TACR2TACR3OPRM1NPSR1 | |
| SCHEMBL1717510 | 0.90 | TACR3 (0.44) | KCNK3TACR2TACR3OPRM1NPSR1 | |
| SCHEMBL1717435 | 0.89 | TACR3 (0.47) | TACR2TACR3OPRM1TSHRLMNA | |
| SCHEMBL1718231 | 0.88 | TACR3 (0.49) | TACR2TACR3OPRM1NPSR1TSHR | |
| SCHEMBL1717448 | 0.87 | TACR3 (0.47) | TACR2TACR3OPRM1NPSR1TSHR | |
| SCHEMBL1718258 | 0.87 | TACR3 (0.53) | KCNK3TACR2TACR3OPRM1CYP2C9 | |
| SCHEMBL1716849 | 0.87 | ABCB1 (0.47) | KCNK3TACR2TACR3OPRM1NPSR1 | |
| SCHEMBL1717245 | 0.87 | KCNK3 (0.45) | KCNK3TACR2TACR3OPRM1 |
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 |