Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.75 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL6992288 | 0.87 | PARP1 (0.75) | PARP1TSHRSMYD3TP53 | |
| SCHEMBL532477 | 0.86 | PARP1 (1.00) | PARP1SMYD3TP53PDE3BPDE3A | |
| SCHEMBL6302991 | 0.86 | PARP1 (0.90) | PARP1SMYD3TP53PDE3BPDE3A | |
| SCHEMBL6995652 | 0.85 | PARP1 (0.80) | PARP1PDGFRBKDRSMYD3TP53 | |
| SCHEMBL6998094 | 0.85 | PARP1 (0.72) | PARP1SMYD3TP53 | |
| SCHEMBL6309373 | 0.85 | PARP1 (0.76) | PARP1SMYD3TP53PDE3BPDE3A | |
| SCHEMBL6305288 | 0.85 | PARP1 (0.88) | PARP1TSHRSMYD3TP53PDE3B | |
| SCHEMBL7000091 | 0.84 | PARP1 (0.78) | PARP1PDGFRBKDRSMYD3TP53 | |
| SCHEMBL6310170 | 0.84 | PARP1 (0.95) | PARP1SMYD3TP53PDE3BPDE3A | |
| SCHEMBL7003247 | 0.83 | PARP1 (0.70) | PARP1SMYD3TP53THRB |
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 |