Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7089254 | 0.92 | HTT (0.35) | GAAHTTNPSR1POLBTRPM8 | |
| SCHEMBL7704922 | 0.87 | PARP1 (0.48) | PARP1HTTSMYD3PDE3BPDE3A | |
| SCHEMBL7708174 | 0.82 | GAA (0.37) | GAAHTTNPSR1POLBTRPM8 | |
| SCHEMBL7708180 | 0.81 | HTT (0.34) | GAAHTTNPSR1POLBTRPM8 | |
| SCHEMBL7088859 | 0.79 | PARP1 (0.37) | PARP1HTTPOLBTRPM8ALDH1A1 | |
| SCHEMBL7711431 | 0.78 | PARP1 (0.37) | PARP1GAASMYD3KDRPDE3B | |
| SCHEMBL6993357 | 0.78 | PARP1 (0.42) | PARP1SMYD3KDRPDE3BPDE3A | |
| SCHEMBL7711130 | 0.76 | PARP1 (0.53) | PARP1HTTSMYD3PDE3BPDE3A | |
| SCHEMBL7710846 | 0.72 | PARP1 (0.53) | PARP1HTTSMYD3PDE3BPDE3A | |
| SCHEMBL7711394 | 0.72 | PARP1 (0.36) | PARP1GAASMYD3KDRPDE3B |
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 |