Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL75705 | 0.91 | CYP3A4 (0.54) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL1190095 | 0.79 | CYP3A4 (0.50) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL8941890 | 0.76 | CYP3A4 (0.48) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL18886174 | 0.75 | CYP3A4 (0.52) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL21639945 | 0.74 | CYP3A4 (0.57) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL17049270 | 0.73 | OPRM1 (0.56) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL70939 | 0.71 | NPSR1 (0.54) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL31037787 | 0.70 | CYP3A4 (0.53) | CYP3A4CYP2D6ALOX15OPRD1CYP2C9 | |
| SCHEMBL27272480 | 0.68 | CYP3A4 (0.54) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 | |
| SCHEMBL6011626 | 0.68 | CYP3A4 (0.47) | CYP3A4CYP2D6ALOX15OPRD1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1933830-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007007057-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |