Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | HRH1 | P35367 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 4/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.49 |
| ▸ | MLNR | O43193 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8306863 | 0.95 | OPRM1 (0.53) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL904849 | 0.73 | OPRM1 (0.57) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL18309848 | 0.73 | OPRM1 (0.57) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL904851 | 0.72 | OPRM1 (0.52) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL10034840 | 0.72 | OPRM1 (0.91) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL7519553 | 0.72 | OPRM1 (0.56) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL3881201 | 0.72 | OPRM1 (0.56) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL904939 | 0.71 | HTR2A (0.57) | OPRK1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL13343480 | 0.71 | OPRL1 (0.43) | OPRK1MEN1KMT2AOPRD1OPRM1 | |
| SCHEMBL904839 | 0.71 | DRD3 (0.54) | OPRK1CYP3A4CYP2D6MEN1KMT2A |
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-2004093816-A2 | COMPOSITIONS COMPRISING A SELECTIVE COX-2 INHIBITOR AND A CALCIUM MODULATING AGENT | PHARMACIA CORPORATION (US) | 2004-11-04 | — | — | WO | disclosed |