Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL7679103 | 0.79 | NOS3 (0.37) | NOS3NOS1NOS2 | |
| SCHEMBL666206 | 0.78 | — | — | |
| SCHEMBL662891 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7675957 | 0.77 | NOS3 (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL2485204 | 0.75 | — | — | |
| SCHEMBL8376974 | 0.75 | — | — | |
| SCHEMBL30522495 | 0.75 | — | — | |
| SCHEMBL7678867 | 0.72 | NOS3 (0.43) | NOS3NOS1NOS2 | |
| SCHEMBL6727301 | 0.72 | HTT (0.38) | AR | |
| SCHEMBL1423856 | 0.70 | HTT (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372733-B1 | HEXAHYDRO-5-IMINO-3-ALKYL OR ISOALKYL-1,4-THIAZEPINE HYDROCHLORIDE OR ACETIC ACID SALTS; USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS, GASTROINTESTINAL DISORDERS AND INFLAMMATION | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |
| US-6043358-A | FOR TREATING DISSORDERS SUCH AS NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION, HYPOTENSION, SEPTIC SHOCK, TOXIC SHOCK SYNDROME, HEMODIALYSIS, AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS SUCH AS SUNBURN | MERCK & CO., INC. (US) | 2000-03-28 | — | — | US | disclosed |
| EP-0861238-A4 | HEXAHYDRO-5-IMINO-1,4-HETEROAZEPINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASES | MERCK & CO INC (US) | 2000-03-01 | — | — | EP | disclosed |
| EP-0861238-A1 | HEXAHYDRO-5-IMINO-1,4-HETEROAZEPINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASES | Merck & Co., Inc. (US) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997016430-A1 | HEXAHYDRO-5-IMINO-1,4-HETEROAZEPINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASES | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |