Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424303 | 0.84 | CYP2C9 (0.41) | CYP2C9CYP2C19 | |
| SCHEMBL7424298 | 0.84 | CYP2C9 (0.41) | CYP2C9CYP2C19 | |
| SCHEMBL7349406 | 0.84 | CYP2C9 (0.41) | CYP2C9CYP2C19 | |
| SCHEMBL7349416 | 0.84 | CYP2C9 (0.41) | CYP2C9CYP2C19 | |
| SCHEMBL7430706 | 0.84 | CYP2C9 (0.41) | CYP2C9CYP2C19 | |
| SCHEMBL8881932 | 0.70 | NPSR1 (0.65) | ALDH1A1NPSR1 | |
| SCHEMBL8881927 | 0.70 | NPSR1 (0.65) | ALDH1A1NPSR1 | |
| SCHEMBL9526268 | 0.69 | PLA2G10 (0.44) | ALDH1A1 | |
| SCHEMBL9526266 | 0.69 | PLA2G10 (0.44) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11015861 | 0.69 | NPSR1 (0.64) | ALDH1A1NPSR1 |
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-5859239-A | Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines | E. R. SQUIBB & SONS, INC. (US) | 1999-01-12 | — | — | US | disclosed |
| US-5723602-A | ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS | E. R. SQUIBB & SONS, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5552397-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1996-09-03 | — | — | US | disclosed |