Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 13/20 | 0.43 |
| ▸ | TACR2 | P21452 | 8/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 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 | |
|---|---|---|---|---|
| SCHEMBL1717901 | 1.00 | TACR3 (0.43) | TACR3TACR2OPRM1TSHRNPSR1 | |
| SCHEMBL1716895 | 0.93 | TACR3 (0.45) | TACR3TACR2OPRM1TSHRNPSR1 | |
| SCHEMBL1717859 | 0.89 | TACR3 (0.48) | TACR3TACR2OPRM1TSHRNPSR1 | |
| SCHEMBL1719117 | 0.89 | TACR3 (0.42) | TACR3TACR2OPRM1TSHRNPSR1 | |
| SCHEMBL1717680 | 0.88 | TACR3 (0.43) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717435 | 0.87 | TACR3 (0.47) | TACR3TACR2OPRM1TSHRHIF1A | |
| SCHEMBL1718231 | 0.86 | TACR3 (0.49) | TACR3TACR2OPRM1TSHRNPSR1 | |
| SCHEMBL1717452 | 0.86 | TACR3 (0.46) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717085 | 0.86 | TACR3 (0.49) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL1717555 | 0.85 | TACR3 (0.48) | TACR3TACR2OPRM1TSHRNPSR1 |
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 |