Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7000943 | 0.87 | PARP1 (0.37) | PARP1BRD4CREBBPPDE3BPDE3A | |
| SCHEMBL7988135 | 0.81 | BRD4 (0.53) | PARP1BRD4CREBBPMAPTMEN1 | |
| SCHEMBL496236 | 0.80 | PARP1 (0.60) | PARP1BRD4CREBBPPDE3BPDE3A | |
| SCHEMBL2104033 | 0.80 | PARP1 (0.60) | PARP1BRD4CREBBPPDE3BPDE3A | |
| SCHEMBL7984345 | 0.80 | HSD17B10 (0.43) | PARP1BRD4CREBBPPDE3BPDE3A | |
| SCHEMBL2917545 | 0.80 | PARP1 (0.60) | PARP1BRD4CREBBPPDE3BPDE3A | |
| SCHEMBL7711230 | 0.80 | PARP1 (0.37) | PARP1BRD4CREBBPPDE3BPDE3A | |
| SCHEMBL6995113 | 0.80 | L3MBTL1 (0.35) | PARP1BRD4CREBBPMEN1GAA | |
| SCHEMBL7981172 | 0.78 | PARP1 (0.35) | PARP1BRD4CREBBPPDE3BPDE3A | |
| SCHEMBL6998842 | 0.76 | ACE2 (0.40) | PARP1BRD4CREBBPMAPTKDM4E |
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 |