Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 4/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7988135 | 0.81 | BRD4 (0.53) | PARP1BRD4CREBBP | |
| SCHEMBL16823716 | 0.80 | PARP1 (0.60) | PARP1PDE3BPDE3APBRM1BRD4 | |
| SCHEMBL531756 | 0.80 | PARP1 (0.60) | PARP1PDE3BPDE3APBRM1BRD4 | |
| SCHEMBL7000474 | 0.80 | PARP1 (0.37) | PARP1PDE3BPDE3ABRD4CREBBP | |
| SCHEMBL7984345 | 0.80 | HSD17B10 (0.43) | PARP1PDE3BPDE3ABRD4CREBBP | |
| SCHEMBL7981172 | 0.78 | PARP1 (0.35) | PARP1PDE3BPDE3ABRD4CREBBP | |
| SCHEMBL6995122 | 0.76 | ABCB1 (0.38) | PARP1PDE3BPDE3ABRD4CREBBP | |
| SCHEMBL6998842 | 0.76 | ACE2 (0.40) | PARP1BRD4CREBBPCHRM1 | |
| SCHEMBL7000985 | 0.76 | KDM4E (0.54) | PARP1PDE3BPDE3ACHRM1 | |
| SCHEMBL6996429 | 0.74 | ALDH1A1 (0.40) | AKR1B1ADRA2APNMTADRA2BADRA2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |