Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.39 |
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 11/20 | 0.36 |
| ▸ | BACE1 | P56817 | 3/20 | 0.34 |
| ▸ | NCF1 | P14598 | 2/20 | 0.34 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12915444 | 0.87 | NOS3 (0.33) | NOS2NOS3NOS1 | |
| SCHEMBL1765925 | 0.79 | BACE1 (0.48) | NOS2NOS3NOS1MCHR1BACE1 | |
| SCHEMBL12948520 | 0.77 | CCR1 (0.41) | NOS2NOS3NOS1 | |
| SCHEMBL24506807 | 0.75 | FGFR1 (0.41) | NOS2NOS3NOS1 | |
| SCHEMBL23456555 | 0.72 | HPGDS (0.32) | — | |
| SCHEMBL2901701 | 0.71 | NOS2 (0.50) | NOS2NOS3NOS1BACE1NCF1 | |
| SCHEMBL29414112 | 0.71 | NOS2 (0.50) | NOS2NOS3NOS1BACE1NCF1 | |
| SCHEMBL10758069 | 0.71 | BACE1 (0.43) | NOS2NOS3NOS1MCHR1BACE1 | |
| SCHEMBL179264 | 0.71 | NOS2 (0.50) | NOS2NOS3NOS1MCHR1BACE1 | |
| SCHEMBL14879397 | 0.71 | NOS3 (0.41) | NOS2NOS3NOS1MCHR1BACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4229456-A | SUPPRESSION OF GASTRIC SECRETIONS | MERCK & CO., INC. (US) | 1980-10-21 | — | — | US | disclosed |
| EP-0000490-A1 | Substituted naphthyridinones, processes for their preparations and therapeutical applications | MERCK & CO. INC. (US) | 1979-02-07 | — | — | EP | disclosed |
| US-4133885-A | GASTRIC SECRETIONS INHIBITORS | MERCK & CO., INC. (US) | 1979-01-09 | — | — | US | disclosed |