Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6824251 | 0.83 | SIGMAR1 (0.58) | SIGMAR1CYP3A4HSD17B10 | |
| SCHEMBL6773993 | 0.83 | SIGMAR1 (0.58) | SIGMAR1CYP3A4HSD17B10 | |
| SCHEMBL6823360 | 0.83 | SIGMAR1 (0.59) | SIGMAR1OPRM1CYP3A4HSD17B10 | |
| SCHEMBL6819672 | 0.80 | SIGMAR1 (0.47) | SIGMAR1 | |
| SCHEMBL6778524 | 0.76 | SIGMAR1 (0.43) | SIGMAR1CYP3A4HSD17B10 | |
| SCHEMBL3015327 | 0.73 | SIGMAR1 (0.74) | SIGMAR1 | |
| SCHEMBL2407205 | 0.73 | CCR3 (0.65) | SIGMAR1HRH3 | |
| SCHEMBL1966477 | 0.71 | SIGMAR1 (0.61) | SIGMAR1OPRM1CYP3A4HSD17B10 | |
| SCHEMBL6203773 | 0.70 | DRD4 (0.66) | SIGMAR1CYP3A4 | |
| SCHEMBL13548371 | 0.70 | OPRM1 (0.60) | SIGMAR1OPRM1CYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058763-A1 | 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |