Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 9/20 | 1.00 |
| ▸ | NOS2 | P35228 | 9/20 | 1.00 |
| ▸ | NOS1 | P29475 | 3/20 | 1.00 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8186392 | 0.92 | NOS2 (0.85) | NOS3NOS2NOS1TAAR1 | |
| SCHEMBL8195096 | 0.89 | NOS2 (0.80) | NOS3NOS2NOS1TAAR1 | |
| SCHEMBL8218521 | 0.82 | NOS3 (0.70) | NOS3NOS2NOS1TAAR1 | |
| SCHEMBL8206872 | 0.78 | NOS2 (0.64) | NOS3NOS2NOS1TAAR1 | |
| SCHEMBL8063238 | 0.75 | NOS2 (0.60) | NOS3NOS2NOS1 | |
| Hydrochloric Acid SCHEMBL8100806 | 0.74 | NOS2 (0.59) | NOS3NOS2NOS1 | |
| SCHEMBL8193125 | 0.73 | NOS2 (0.58) | NOS3NOS2NOS1 | |
| SCHEMBL8208391 | 0.73 | NOS2 (0.59) | NOS3NOS2NOS1TAAR1 | |
| SCHEMBL8207387 | 0.70 | NOS2 (0.54) | NOS3NOS2NOS1 | |
| SCHEMBL11956428 | 0.68 | — | — |
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 |