Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030206 | 0.94 | AKR1B1 (0.45) | PARP1AKR1B1ALDH1A1CYP3A4PDE3B | |
| SCHEMBL6999139 | 0.85 | AKR1B1 (0.39) | AKR1B1ALDH1A1CYP3A4CA12CA9 | |
| SCHEMBL30806651 | 0.80 | MAPT (0.48) | PARP1ALDH1A1CYP3A4PDE3BPDE3A | |
| SCHEMBL23578352 | 0.77 | CHEK1 (0.39) | PARP1ALDH1A1CYP3A4PDE3BPDE3A | |
| SCHEMBL5514499 | 0.75 | KMT2A (0.56) | PARP1ALDH1A1CYP3A4PDE3BPDE3A | |
| SCHEMBL8111545 | 0.75 | GPR35 (0.36) | AKR1B1ALDH1A1CYP3A4 | |
| SCHEMBL13672063 | 0.75 | PARP1 (0.38) | PARP1AKR1B1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL3590372 | 0.74 | PARP1 (0.54) | PARP1ALDH1A1CYP3A4PDE3BPDE3A | |
| SCHEMBL2100537 | 0.74 | PARP1 (0.54) | PARP1ALDH1A1CYP3A4PDE3BPDE3A | |
| SCHEMBL2101407 | 0.74 | PARP1 (0.54) | PARP1ALDH1A1CYP3A4PDE3BPDE3A |
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 |