Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | NOS2 | P35228 | 4/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL815559 | 0.93 | NOS1 (0.34) | NOS1NOS2NOS3 | |
| SCHEMBL2502334 | 0.90 | NOS1 (0.42) | NOS1NOS2NOS3ADH1BADH1C | |
| SCHEMBL89025 | 0.90 | — | — | |
| SCHEMBL2500447 | 0.90 | NOS1 (0.42) | NOS1NOS2NOS3ADH1BADH1C | |
| SCHEMBL2499186 | 0.90 | NOS1 (0.42) | NOS1NOS2NOS3ADH1BADH1C | |
| Cyclohexane SCHEMBL3694033 | 0.90 | NOS1 (0.42) | NOS1NOS2NOS3ADH1BADH1C | |
| SCHEMBL7740961 | 0.90 | NOS1 (0.42) | NOS1NOS2NOS3ADH1BADH1C | |
| SCHEMBL7063115 | 0.90 | NOS1 (0.42) | NOS1NOS2NOS3ADH1BADH1C | |
| SCHEMBL89861 | 0.87 | — | — | |
| SCHEMBL28837982 | 0.85 | NOS1 (0.42) | NOS1NOS2NOS3ADH1BADH1C |
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 |
|---|---|---|---|---|---|---|---|
| US-4322530-A | Alkylation of polyamines | W. R. GRACE & CO. (US) | 1982-03-30 | — | — | US | disclosed |