Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.62 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.62 |
| ▸ | MRGPRX2 | Q96LB1 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 10/20 | 0.36 |
| ▸ | CTSD | P07339 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1207029 | 1.00 | OPRM1 (0.62) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL18407718 | 0.87 | OPRM1 (0.58) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL1207341 | 0.87 | OPRM1 (0.58) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL18408074 | 0.87 | OPRM1 (0.60) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL1207273 | 0.87 | OPRM1 (0.60) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL18407995 | 0.86 | OPRD1 (0.63) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL1207662 | 0.86 | OPRD1 (0.63) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL1206273 | 0.84 | OPRM1 (0.66) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL18408128 | 0.84 | OPRM1 (0.66) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 | |
| SCHEMBL18407964 | 0.82 | OPRD1 (0.58) | OPRM1OPRD1OPRK1SIGMAR1MRGPRX2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2220048-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-01-25 | — | — | EP | disclosed |