Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 15/20 | 0.43 |
| ▸ | TACR2 | P21452 | 8/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1717752 | 0.98 | TACR3 (0.44) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717181 | 0.97 | TACR3 (0.46) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717156 | 0.96 | TACR3 (0.44) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717345 | 0.86 | KCNK3 (0.47) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1718239 | 0.86 | TACR3 (0.44) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717346 | 0.86 | KCNK3 (0.45) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1719018 | 0.85 | TACR3 (0.46) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717634 | 0.85 | TACR3 (0.47) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717430 | 0.85 | PIK3CD (0.44) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717576 | 0.84 | ALDH1A1 (0.48) | TACR3TACR2OPRM1CYP1A2CYP3A4 |
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 |