Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.40 |
| ▸ | NOS1 | P29475 | 5/20 | 0.40 |
| ▸ | NOS2 | P35228 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8324925 | 0.81 | HLCS (0.33) | ALDH1A1L3MBTL1 | |
| SCHEMBL7683568 | 0.79 | NOS3 (0.40) | NOS3NOS1NOS2 | |
| SCHEMBL7679059 | 0.79 | NOS3 (0.40) | NOS3NOS1NOS2 | |
| SCHEMBL7681685 | 0.79 | NOS3 (0.40) | NOS3NOS1NOS2 | |
| SCHEMBL7678842 | 0.79 | NOS3 (0.40) | NOS3NOS1NOS2 | |
| SCHEMBL7675949 | 0.79 | NOS3 (0.40) | NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL7678713 | 0.77 | NOS3 (0.39) | NOS3NOS1NOS2 | |
| SCHEMBL2731412 | 0.75 | — | — | |
| SCHEMBL13484370 | 0.75 | — | — | |
| SCHEMBL13484265 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |