Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5470810 | 0.95 | PARP1 (0.41) | PARP1SMYD3KDRHSD17B10PDE3B | |
| SCHEMBL5472751 | 0.91 | PARP1 (0.33) | PARP1 | |
| SCHEMBL5464744 | 0.87 | PARP1 (0.47) | PARP1SMYD3KDRHSD17B10 | |
| SCHEMBL5474592 | 0.86 | PARP1 (0.45) | PARP1SMYD3KDRHSD17B10 | |
| SCHEMBL5467227 | 0.84 | PARP1 (0.32) | PARP1HSD17B10 | |
| SCHEMBL5465466 | 0.82 | PARP1 (0.44) | PARP1SMYD3KDRHSD17B10 | |
| SCHEMBL5482158 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL5471766 | 0.79 | PARP1 (0.51) | PARP1SMYD3KDRHSD17B10PDE3B | |
| SCHEMBL5472790 | 0.78 | PARP1 (0.36) | PARP1HSD17B10 | |
| SCHEMBL7711130 | 0.78 | PARP1 (0.53) | PARP1SMYD3HSD17B10PDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| US-7141566-B1 | Benzoxazine and benzothiazine derivatives and the use thereof in medicaments | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-11-28 | — | — | US | disclosed |