Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.35 |
| ▸ | NOS1 | P29475 | 6/20 | 0.35 |
| ▸ | NOS3 | P29474 | 6/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7381137 | 0.83 | NOS2 (0.36) | NOS2NOS1NOS3CYP1A2CYP2D6 | |
| SCHEMBL7597684 | 0.81 | NOS2 (0.35) | NOS2NOS1NOS3CYP1A2CYP2D6 | |
| SCHEMBL7412424 | 0.75 | NOS3 (0.33) | NOS2NOS1NOS3 | |
| SCHEMBL7441763 | 0.74 | NOS3 (0.30) | NOS2NOS1NOS3 | |
| SCHEMBL7394046 | 0.73 | — | — | |
| SCHEMBL30569129 | 0.67 | — | — | |
| SCHEMBL7420414 | 0.66 | CYP1A2 (0.56) | NOS2NOS1NOS3CYP1A2CYP2D6 | |
| SCHEMBL7417108 | 0.66 | BACE1 (0.51) | NOS2NOS3CYP1A2CYP2D6 | |
| SCHEMBL7380418 | 0.65 | CYP1A2 (0.36) | NOS2NOS1NOS3CYP1A2CYP2D6 | |
| SCHEMBL7420397 | 0.65 | NOS2 (0.49) | NOS2NOS1NOS3 |
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 |