Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1466762 | 0.86 | OPRM1 (0.44) | OPRM1KMT2AWDR5PDE4APDE4B | |
| SCHEMBL13362358 | 0.73 | OPRM1 (0.38) | OPRM1KMT2AWDR5CYP1A2 | |
| SCHEMBL21874208 | 0.71 | WDR5 (0.41) | OPRM1WDR5 | |
| SCHEMBL24214281 | 0.70 | OPRM1 (0.40) | OPRM1WDR5CYP1A2 | |
| SCHEMBL10209132 | 0.69 | OPRM1 (0.51) | OPRM1KMT2A | |
| SCHEMBL2200912 | 0.69 | SLC6A4 (0.43) | OPRM1KMT2AWDR5 | |
| SCHEMBL14711714 | 0.69 | OPRM1 (0.44) | OPRM1KMT2A | |
| SCHEMBL4515335 | 0.68 | OPRM1 (0.41) | OPRM1KMT2ACYP1A2 | |
| SCHEMBL16526958 | 0.67 | ADRA2A (0.45) | — | |
| SCHEMBL2937652 | 0.67 | KDM1A (0.30) | — |
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-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |