Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.74 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL532477 | 0.85 | PARP1 (1.00) | PARP1PDE3BPDE3ASMYD3ALOX15 | |
| SCHEMBL531431 | 0.84 | PARP1 (0.68) | PARP1PDE3BPDE3ASMYD3ALOX15 | |
| SCHEMBL7001759 | 0.83 | PARP1 (0.53) | PARP1ALOX15HSD17B10GSK3B | |
| SCHEMBL6310170 | 0.83 | PARP1 (0.95) | PARP1PDE3BPDE3ASMYD3ALOX15 | |
| SCHEMBL5967473 | 0.82 | PARP1 (0.65) | PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL5967448 | 0.82 | PARP1 (0.65) | PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL12235342 | 0.82 | PARP1 (0.65) | PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL532792 | 0.82 | PARP1 (0.65) | PARP1PDE3BPDE3ASMYD3ALOX15 | |
| SCHEMBL10262368 | 0.81 | PARP1 (0.82) | PARP1PDE3BPDE3ASMYD3ALOX15 | |
| SCHEMBL5189907 | 0.81 | PARP1 (0.64) | PARP1PDE3BPDE3ASMYD3MAOB |
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 4 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 |
| EP-1015437-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999012915-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-03-18 | — | — | WO | disclosed |