Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.71 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6302991 | 0.88 | PARP1 (0.90) | PARP1PDE3BPDE3ASMYD3TP53 | |
| SCHEMBL6305288 | 0.84 | PARP1 (0.88) | PARP1PDE3BPDE3ASMYD3TP53 | |
| SCHEMBL7003151 | 0.83 | PARP1 (0.81) | PARP1PDE3BPDE3ATP53POLB | |
| SCHEMBL532477 | 0.83 | PARP1 (1.00) | PARP1PDE3BPDE3ASMYD3TP53 | |
| SCHEMBL6998248 | 0.83 | PARP1 (0.73) | PARP1PDE3BPDE3ASMYD3HDAC8 | |
| SCHEMBL6999731 | 0.82 | PARP1 (0.80) | PARP1PDE3BPDE3ATP53POLB | |
| SCHEMBL6303081 | 0.82 | PARP1 (0.80) | PARP1PDE3BPDE3ASMYD3TP53 | |
| SCHEMBL6995652 | 0.82 | PARP1 (0.80) | PARP1PDE3BPDE3ASMYD3TP53 | |
| SCHEMBL7000032 | 0.81 | PARP1 (0.74) | PARP1PDE3BPDE3ASMYD3TP53 | |
| SCHEMBL6989623 | 0.81 | PARP1 (0.78) | PARP1PDE3BPDE3ASMYD3TP53 |
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 |