Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 10/20 | 0.41 |
| ▸ | NOS3 | P29474 | 8/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424032 | 0.77 | NOS2 (0.45) | NOS2NOS3 | |
| SCHEMBL7594405 | 0.76 | NOS2 (0.44) | NOS2NOS3PTGS1 | |
| SCHEMBL7375377 | 0.76 | NOS2 (0.42) | NOS2NOS3 | |
| SCHEMBL7420397 | 0.75 | NOS2 (0.49) | NOS2NOS3NOS1TRPA1DRD2 | |
| SCHEMBL7592051 | 0.74 | NOS2 (0.46) | NOS2NOS3NOS1 | |
| SCHEMBL7378051 | 0.73 | NOS2 (0.38) | NOS2NOS3PTGS1 | |
| SCHEMBL7417662 | 0.70 | NOS2 (0.41) | NOS2NOS3 | |
| SCHEMBL7423582 | 0.70 | NOS2 (0.41) | NOS2NOS3PTGS1 | |
| SCHEMBL7563046 | 0.70 | NOS2 (0.38) | NOS2NOS3NOS1 | |
| SCHEMBL7380703 | 0.69 | NOS3 (0.37) | NOS2NOS3PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |