Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 11/20 | 0.53 |
| ▸ | ABHD6 | Q9BV23 | 9/20 | 0.53 |
| ▸ | PLA2G7 | Q13093 | 5/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28613846 | 0.89 | OPRM1 (0.55) | MGLLABHD6PLA2G7OPRM1SIGMAR1 | |
| SCHEMBL28627150 | 0.88 | OPRM1 (0.50) | MGLLABHD6PLA2G7OPRM1CYP2D6 | |
| SCHEMBL30632159 | 0.86 | OPRM1 (0.55) | OPRM1SIGMAR1 | |
| SCHEMBL28612071 | 0.86 | OPRM1 (0.55) | OPRM1SIGMAR1 | |
| SCHEMBL28614771 | 0.85 | OPRM1 (0.47) | MGLLABHD6PLA2G7OPRM1CYP2D6 | |
| SCHEMBL30632157 | 0.85 | OPRM1 (0.47) | MGLLABHD6PLA2G7OPRM1CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28627151 | 0.84 | OPRM1 (0.48) | MGLLABHD6PLA2G7OPRM1SIGMAR1 | |
| SCHEMBL30632156 | 0.84 | MGLL (0.56) | MGLLABHD6PLA2G7CYP2D6FAAH | |
| SCHEMBL28614777 | 0.84 | MGLL (0.56) | MGLLABHD6PLA2G7CYP2D6FAAH | |
| SCHEMBL20567165 | 0.81 | MGLL (0.59) | MGLLABHD6PLA2G7CYP2D6FAAH |
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 |
|---|---|---|---|---|---|---|---|
| CN-113292485-B | Benzyl piperazine urea TRPV1 antagonizing and MOR agonizing double-target medicine and its prepn and application | 河南大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-113292485-A | Benzylpiperazine urea TRPV1 antagonistic and MOR agonistic double-target-point medicine, preparation method and application | 河南大学 | 2021-08-24 | — | — | CN | disclosed |