Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6976046 | 0.68 | NOS1 (0.36) | NOS1NOS2 | |
| SCHEMBL11033685 | 0.59 | ALDH1A1 (0.41) | NOS1NOS2NOS3 | |
| Ammonia Solution, Strong SCHEMBL22283017 | 0.57 | ALDH1A1 (0.39) | NOS1NOS2NOS3 | |
| SCHEMBL5311011 | 0.53 | — | — | |
| Hexane SCHEMBL5498517 | 0.52 | — | — | |
| SCHEMBL9289141 | 0.51 | TSHR (0.50) | — | |
| Hexane SCHEMBL1115996 | 0.51 | TSHR (0.50) | — | |
| Decane SCHEMBL3182487 | 0.49 | TSHR (0.73) | — | |
| Octane SCHEMBL4441366 | 0.49 | TSHR (0.73) | — | |
| Hexadecane SCHEMBL27375271 | 0.49 | TSHR (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0824523-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. Searle & Co. (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035677-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. SEARLE & CO. (US) | 1996-11-14 | — | — | WO | disclosed |