Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 9/20 | 0.51 |
| ▸ | TACR2 | P21452 | 5/20 | 0.43 |
| ▸ | TACR1 | P25103 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2482748 | 1.00 | TACR3 (0.51) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL2478061 | 0.88 | TACR2 (0.53) | TACR3TACR2TACR1 | |
| SCHEMBL2477155 | 0.88 | TACR2 (0.53) | TACR3TACR2TACR1 | |
| SCHEMBL2477748 | 0.86 | TACR3 (0.64) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL2478285 | 0.84 | TACR3 (0.54) | TACR3TACR2TACR1DRD2DRD4 | |
| SCHEMBL2482753 | 0.84 | TACR3 (0.57) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL2481967 | 0.83 | TACR3 (0.56) | TACR3TACR2TACR1 | |
| SCHEMBL2504727 | 0.81 | CCR5 (0.39) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL2477223 | 0.78 | TACR3 (0.74) | TACR3TACR2TACR1 | |
| SCHEMBL2476119 | 0.78 | TACR3 (0.74) | TACR3TACR2TACR1 |
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-1656349-B1 | CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2011-10-12 | — | — | EP | claimed |