Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 9/20 | 0.49 |
| ▸ | TACR2 | P21452 | 5/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 10/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1718258 | 0.94 | TACR3 (0.53) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1717245 | 0.94 | KCNK3 (0.45) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1717394 | 0.93 | TACR3 (0.54) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1718670 | 0.92 | TACR3 (0.43) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1717662 | 0.92 | TACR3 (0.49) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1719009 | 0.91 | TACR3 (0.47) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1717447 | 0.91 | TACR3 (0.51) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1718058 | 0.91 | TACR3 (0.47) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1717583 | 0.91 | TACR3 (0.51) | TACR3TACR2KCNK3OPRM1 | |
| SCHEMBL1718057 | 0.90 | TACR3 (0.56) | TACR3TACR2KCNK3OPRM1ALDH1A1 |
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 |