Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 9/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.33 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL19137846 | 1.00 | OPRM1 (0.39) | OPRM1PRCPOPRL1HSD11B1BACE1 | |
| SCHEMBL17444363 | 0.94 | OPRM1 (0.41) | OPRM1OPRL1HSD11B1VNN1ADORA2A | |
| SCHEMBL17444365 | 0.94 | OPRM1 (0.41) | OPRM1OPRL1HSD11B1VNN1ADORA2A | |
| SCHEMBL17444277 | 0.89 | OPRM1 (0.45) | OPRM1OPRL1HSD11B1VNN1ADORA2A | |
| SCHEMBL17444279 | 0.89 | OPRM1 (0.45) | OPRM1OPRL1HSD11B1VNN1ADORA2A | |
| Trifluoroacetic Acid SCHEMBL17444198 | 0.87 | OPRM1 (0.43) | OPRM1PRCPOPRL1HSD11B1VNN1 | |
| Trifluoroacetic Acid SCHEMBL20210984 | 0.87 | OPRM1 (0.43) | OPRM1PRCPOPRL1HSD11B1VNN1 | |
| SCHEMBL17444324 | 0.83 | OPRM1 (0.43) | OPRM1OPRL1HSD11B1VNN1GPR142 | |
| SCHEMBL17444326 | 0.83 | OPRM1 (0.43) | OPRM1OPRL1HSD11B1VNN1GPR142 | |
| Fluoroacetate SCHEMBL19137847 | 0.83 | OPRM1 (0.33) | OPRM1PRCPOPRL1HSD11B1VNN1 |
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-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |