Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | PRKCH | P24723 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12016528 | 0.83 | OPRD1 (0.45) | OPRD1 | |
| SCHEMBL7616455 | 0.81 | OPRD1 (0.56) | CYP3A4OPRD1CYP2D6NFKB1 | |
| SCHEMBL4576560 | 0.79 | OPRD1 (0.50) | CYP3A4OPRD1CYP2D6NFKB1 | |
| SCHEMBL4576004 | 0.78 | OPRD1 (0.56) | CYP3A4OPRD1CYP2D6NFKB1 | |
| SCHEMBL12018158 | 0.78 | OPRD1 (0.56) | CYP3A4OPRD1CYP2D6NFKB1 | |
| SCHEMBL7623255 | 0.77 | PLA2G7 (0.35) | MGLLPLA2G7ABHD6CYP3A4CYP3A5 | |
| SCHEMBL16456532 | 0.76 | OPRD1 (0.51) | OPRD1 | |
| SCHEMBL6466974 | 0.76 | OPRD1 (0.51) | OPRD1 | |
| SCHEMBL4576003 | 0.75 | OPRD1 (0.43) | CYP3A4OPRD1CYP2D6NFKB1 | |
| SCHEMBL6466971 | 0.73 | OPRD1 (0.40) | OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20020052007-A1 | Diarylmethylbenzylpiperazines and corresponding halobenzyl derivatives | ENTA HOLDING LLC | 2002-05-02 | — | — | US | disclosed |