Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 10/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30632159 | 0.93 | OPRM1 (0.55) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 | |
| SCHEMBL28612071 | 0.93 | OPRM1 (0.55) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 | |
| Tert-Butyl Formate SCHEMBL28612074 | 0.90 | OPRM1 (0.52) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 | |
| SCHEMBL28627152 | 0.84 | MGLL (0.53) | OPRM1SIGMAR1PLA2G7MGLLABHD6 | |
| SCHEMBL28627150 | 0.82 | OPRM1 (0.50) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 | |
| SCHEMBL28619729 | 0.81 | OPRM1 (0.61) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 | |
| SCHEMBL30632150 | 0.81 | OPRM1 (0.61) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 | |
| Tert-Butyl Formate SCHEMBL27994107 | 0.80 | MGLL (0.52) | MAOAPLA2G7MGLLABHD6 | |
| SCHEMBL28614771 | 0.78 | OPRM1 (0.47) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 | |
| SCHEMBL30632157 | 0.78 | OPRM1 (0.47) | OPRM1SIGMAR1SLC22A1NR1I2ABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |