Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 6/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7711038 | 0.90 | PDE4D (0.32) | MAPTTSHRHSD17B10CYP3A4CYP3A5 | |
| SCHEMBL7711106 | 0.89 | PDE3B (0.38) | PARP1PDE3BPDE3ASMYD3KDR | |
| SCHEMBL7711412 | 0.84 | PARP1 (0.39) | HSD17B10PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL7711394 | 0.83 | PARP1 (0.36) | PARP1PDE3BPDE3ASMYD3KDR | |
| SCHEMBL7711431 | 0.82 | PARP1 (0.37) | HSD17B10PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL7711069 | 0.81 | CYP3A4 (0.31) | CYP3A4CYP3A5 | |
| SCHEMBL7708190 | 0.80 | PARP1 (0.38) | PARP1PDE3BPDE3ASMYD3KDR | |
| SCHEMBL7710769 | 0.79 | KDM4D (0.35) | — | |
| SCHEMBL6991325 | 0.77 | SMYD3 (0.36) | MAPTTSHRHSD17B10PARP1PDE3B | |
| SCHEMBL6992024 | 0.74 | PARP1 (0.44) | MAPTTSHRHSD17B10PARP1PDE3B |
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 |