Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 9/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | PRKCG | P05129 | 1/20 | 0.31 |
| ▸ | PRKCB | P05771 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | PRKCH | P24723 | 1/20 | 0.31 |
| ▸ | PRKCI | P41743 | 1/20 | 0.31 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7616431 | 0.81 | OPRD1 (0.48) | CYP3A4KDM4E | |
| SCHEMBL7623262 | 0.77 | MGLL (0.35) | PLA2G7MGLLABHD6CYP3A4CYP3A5 | |
| SCHEMBL6526001 | 0.64 | SIGMAR1 (0.37) | CYP3A4 | |
| SCHEMBL6525998 | 0.64 | SIGMAR1 (0.37) | CYP3A4 | |
| SCHEMBL16456516 | 0.64 | SIGMAR1 (0.37) | CYP3A4 | |
| SCHEMBL15080471 | 0.64 | SIGMAR1 (0.37) | CYP3A4 | |
| SCHEMBL4576003 | 0.63 | OPRD1 (0.43) | CYP3A4CYP2D6NFKB1MAPT | |
| SCHEMBL4499828 | 0.63 | SIGMAR1 (0.52) | CYP2D6 | |
| SCHEMBL12016528 | 0.62 | OPRD1 (0.45) | — | |
| SCHEMBL6932627 | 0.61 | SIGMAR1 (0.43) | CYP3A4 |
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 |