Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 13/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 13/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2925299 | 1.00 | CDK4 (0.36) | CDK4CCND1HCRTR1HCRTR2PDE4B | |
| SCHEMBL2932484 | 0.88 | HCRTR2 (0.41) | HCRTR1HCRTR2 | |
| SCHEMBL2928985 | 0.88 | GRM2 (0.35) | HCRTR1HCRTR2 | |
| SCHEMBL3415834 | 0.87 | HCRTR1 (0.46) | CDK4CCND1HCRTR1HCRTR2 | |
| SCHEMBL2925288 | 0.87 | HCRTR1 (0.46) | CDK4CCND1HCRTR1HCRTR2 | |
| SCHEMBL2925493 | 0.87 | HCRTR2 (0.37) | HCRTR1HCRTR2 | |
| SCHEMBL2927639 | 0.86 | PARP1 (0.35) | HCRTR1HCRTR2PDE4B | |
| SCHEMBL2930541 | 0.85 | HCRTR1 (0.46) | HCRTR1HCRTR2 | |
| SCHEMBL3415643 | 0.85 | HCRTR1 (0.46) | HCRTR1HCRTR2 | |
| SCHEMBL3416000 | 0.83 | HCRTR1 (0.50) | CDK4CCND1HCRTR1HCRTR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | claimed |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |