Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL531573 | 0.87 | PARP1 (0.53) | PARP1PDE3BPDE3ASMYD3ALOX15 | |
| SCHEMBL6992019 | 0.87 | PARP1 (0.51) | PARP1PDE3BPDE3ASMYD3NR3C2 | |
| SCHEMBL6997050 | 0.83 | PARP1 (0.51) | PARP1PDE3BPDE3ASMYD3NR3C2 | |
| SCHEMBL531758 | 0.81 | PARP1 (0.55) | PARP1PDE3BPDE3ASMYD3NR3C2 | |
| SCHEMBL6998253 | 0.81 | PARP1 (0.54) | PARP1PDE3BPDE3ASMYD3NR3C2 | |
| SCHEMBL6999243 | 0.79 | PARP1 (0.55) | PARP1PDE3BPDE3ASMYD3NR3C2 | |
| SCHEMBL6302994 | 0.79 | PARP1 (0.70) | PARP1PDE3BPDE3ASMYD3ALOX15 | |
| SCHEMBL532908 | 0.79 | PARP1 (0.55) | PARP1PDE3BPDE3ANR3C2ALOX15 | |
| SCHEMBL6989623 | 0.79 | PARP1 (0.78) | PARP1PDE3BPDE3ASMYD3HSD17B10 | |
| SCHEMBL6305291 | 0.78 | PARP1 (0.69) | PARP1PDE3BPDE3ASMYD3NR3C2 |
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 |