Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 2/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | BID | P55957 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053179 | 0.92 | CACNA1C (0.46) | CACNA1CSCN5AHTTCYP1A2DRD2 | |
| SCHEMBL11656259 | 0.88 | CACNA1C (0.57) | CACNA1CSCN5AHTTDRD2HTR2A | |
| SCHEMBL11665149 | 0.88 | CACNA1C (0.50) | CACNA1CSCN5AHTTDRD2HTR2A | |
| SCHEMBL10940738 | 0.88 | CACNA1C (0.56) | CACNA1CSCN5ACYP1A2DRD2HTR2A | |
| SCHEMBL11659898 | 0.87 | HTT (0.37) | CACNA1CSCN5AHTTMAPK14EGFR | |
| SCHEMBL11053537 | 0.86 | DRD2 (0.48) | CACNA1CSCN5AHTTCYP1A2DRD2 | |
| SCHEMBL11662569 | 0.85 | CACNA1C (0.44) | CACNA1CSCN5ADRD2HTR2AHTR2B | |
| SCHEMBL11137128 | 0.85 | GAA (0.41) | HTTEGFRLMNANPSR1 | |
| SCHEMBL11660421 | 0.85 | CACNA1C (0.44) | CACNA1CSCN5AEGFRDRD2HTR2A | |
| SCHEMBL11839275 | 0.84 | HTT (0.36) | HTTEGFRLMNABIDBCL2L1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4326075-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4203920-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4117165-A | ANTIULCER, HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4060635-A | Amidinoureas for treating diarrhea | WILLIAM H. RORER, INC. (US) | 1977-11-29 | — | — | US | disclosed |