Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 14/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11056120 | 0.89 | MKNK1 (0.43) | SMN1; SMN2ALDH1A1KDM4EMKNK1MKNK2 | |
| SCHEMBL11056350 | 0.88 | MKNK1 (0.43) | SMN1; SMN2ALDH1A1KDM4EMKNK1MKNK2 | |
| SCHEMBL11050309 | 0.87 | CHRNA7 (0.43) | MAPK14CHRNA7EGFRFGFR1 | |
| SCHEMBL11053108 | 0.87 | MKNK1 (0.43) | SMN1; SMN2ALDH1A1KDM4EMKNK1MKNK2 | |
| SCHEMBL11059310 | 0.86 | CHRNA7 (0.44) | MAPK14CHRNA7FGFR1 | |
| SCHEMBL11058225 | 0.85 | EGFR (0.46) | CHRNA7EGFRFGFR1 | |
| SCHEMBL11058286 | 0.85 | EGFR (0.45) | ALDH1A1CHRNA7HSD17B10EGFRFGFR1 | |
| SCHEMBL11055055 | 0.85 | CHRNA7 (0.43) | MKNK2MAPK14CHRNA7FGFR1 | |
| SCHEMBL11060182 | 0.83 | CHRNA7 (0.43) | CHRNA7EGFRFGFR1 | |
| SCHEMBL11052662 | 0.82 | MKNK1 (0.49) | SMN1; SMN2ALDH1A1KDM4EMKNK1MKNK2 |
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-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |