Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.51 |
| ▸ | NOS3 | P29474 | 6/20 | 0.51 |
| ▸ | NISCH | Q9Y2I1 | 5/20 | 0.47 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8057615 | 0.68 | NOS2 (1.00) | NOS2NOS3NOS1ADRA2AADRA2B | |
| SCHEMBL504352 | 0.66 | GSK3B (0.40) | NISCHALDH1A1HSD17B10 | |
| SCHEMBL8197502 | 0.64 | NOS2 (0.51) | NOS2NOS3NISCHNOS1ALDH1A1 | |
| SCHEMBL9201485 | 0.64 | NISCH (1.00) | NISCHADRA1DADRA1AADRA1B | |
| SCHEMBL19436351 | 0.64 | PNMT (0.39) | NOS2NOS3NISCHADRA2AADRA2B | |
| SCHEMBL246877 | 0.61 | — | — | |
| SCHEMBL11631748 | 0.60 | NISCH (0.54) | NISCHMAOAMAOB | |
| SCHEMBL6989045 | 0.59 | — | — | |
| SCHEMBL2043642 | 0.59 | — | — | |
| SCHEMBL14603910 | 0.58 | CHEK1 (0.37) | NISCH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000064904-A1 | 5,7-BICYCLIC AMIDINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2000-11-02 | — | — | WO | claimed |
| WO-2000064904-A1 | 5,7-BICYCLIC AMIDINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2000-11-02 | — | — | WO | disclosed |