Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.62 |
| ▸ | CCR8 | P51685 | 7/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.57 |
| ▸ | C5AR1 | P21730 | 5/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7070692 | 0.93 | OPRM1 (0.57) | CYP3A4CYP2D6CCR8OPRM1C5AR1 | |
| SCHEMBL6496325 | 0.84 | KDM4E (0.58) | CYP3A4CYP2D6CCR8OPRM1C5AR1 | |
| SCHEMBL7068005 | 0.82 | OPRM1 (0.84) | CCR8OPRM1DRD2DRD4KCNH2 | |
| SCHEMBL6499178 | 0.82 | CACNA1G (0.61) | CYP3A4CYP2D6CCR8OPRM1C5AR1 | |
| SCHEMBL6501702 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2D6CCR8OPRM1C5AR1 | |
| SCHEMBL6499157 | 0.81 | OPRM1 (0.64) | CCR8OPRM1DRD2DRD4OPRL1 | |
| SCHEMBL6505921 | 0.79 | C5AR1 (0.57) | CYP3A4CYP2D6CCR8OPRM1C5AR1 | |
| SCHEMBL6495959 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2D6CCR8OPRM1C5AR1 | |
| SCHEMBL7066869 | 0.78 | OPRM1 (0.51) | CYP3A4CYP2D6CCR8OPRM1C5AR1 | |
| SCHEMBL6507423 | 0.78 | OPRM1 (0.75) | OPRM1DRD2DRD4KCNH2OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003037271-A2 | COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR | MILLENNIUM PHARMACEUTICALS,INC. (US) | 2003-05-08 | — | — | WO | disclosed |