Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 12/20 | 0.80 |
| ▸ | NOS3 | P29474 | 11/20 | 0.80 |
| ▸ | NOS1 | P29475 | 3/20 | 0.80 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8214849 | 0.89 | NOS3 (1.00) | NOS2NOS3NOS1TAAR1 | |
| SCHEMBL8186392 | 0.86 | NOS2 (0.85) | NOS2NOS3NOS1TAAR1 | |
| SCHEMBL8218521 | 0.85 | NOS3 (0.70) | NOS2NOS3NOS1TAAR1CYP2D6 | |
| SCHEMBL8206872 | 0.78 | NOS2 (0.64) | NOS2NOS3NOS1TAAR1 | |
| SCHEMBL8057623 | 0.74 | NOS2 (0.56) | NOS2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL8107228 | 0.73 | NOS2 (0.55) | NOS2NOS3NOS1 | |
| SCHEMBL8208391 | 0.72 | NOS2 (0.59) | NOS2NOS3NOS1TAAR1 | |
| SCHEMBL8193587 | 0.72 | NOS2 (0.47) | NOS2NOS3NOS1 | |
| SCHEMBL8218288 | 0.72 | NOS2 (0.47) | NOS2NOS3NOS1 | |
| SCHEMBL8194863 | 0.72 | NOS2 (0.47) | NOS2NOS3NOS1 |
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 |