Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.54 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL531431 | 0.78 | PARP1 (0.68) | PARP1MAOBADORA2AALOX15HSD17B10 | |
| SCHEMBL6999243 | 0.78 | PARP1 (0.55) | PARP1NR3C2MAOBADORA2AALOX15 | |
| SCHEMBL531758 | 0.77 | PARP1 (0.55) | PARP1NR3C2MAOBADORA2AALOX15 | |
| SCHEMBL6998253 | 0.77 | PARP1 (0.54) | PARP1NR3C2MAOBADORA2AALOX15 | |
| SCHEMBL6998094 | 0.77 | PARP1 (0.72) | PARP1MAOBADORA2ASMYD3 | |
| SCHEMBL532511 | 0.76 | PARP1 (0.61) | PARP1ALOX15HSD17B10PDE3BPDE3A | |
| SCHEMBL6989624 | 0.76 | PARP1 (0.52) | PARP1NR3C2MAOBADORA2AALOX15 | |
| SCHEMBL6305291 | 0.75 | PARP1 (0.69) | PARP1NR3C2ALOX15HSD17B10PDE3B | |
| SCHEMBL6997050 | 0.75 | PARP1 (0.51) | PARP1NR3C2ALOX15HSD17B10PDE3B | |
| SCHEMBL531857 | 0.75 | PARP1 (0.63) | PARP1ALOX15HSD17B10PDE3BPDE3A |
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 |