Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6992024 | 0.86 | PARP1 (0.44) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL6997052 | 0.81 | PARP1 (0.43) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL6999246 | 0.81 | PARP1 (0.48) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL6998255 | 0.81 | PARP1 (0.45) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL6998103 | 0.77 | PARP1 (0.46) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL16804878 | 0.76 | PARP1 (0.57) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL19966801 | 0.76 | PARP1 (0.57) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL6996963 | 0.72 | CYP3A4 (0.33) | CYP3A4CYP2C19 | |
| SCHEMBL6989623 | 0.72 | PARP1 (0.78) | PARP1PDE3BPDE3ASMYD3MAOB | |
| SCHEMBL7711106 | 0.72 | PDE3B (0.38) | PARP1PDE3BPDE3ASMYD3KDR |
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-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |