Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL11051176 | 0.95 | ALDH1A1 (0.32) | ALDH1A1ALOX12SMN1; SMN2 | |
| SCHEMBL11057623 | 0.87 | ALDH1A1 (0.38) | ALDH1A1TP53CYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL11053556 | 0.85 | GAA (0.35) | ALDH1A1ESR1 | |
| SCHEMBL11055264 | 0.84 | ALDH1A1 (0.38) | ALDH1A1TP53CYP3A4TDP1ALOX12 | |
| SCHEMBL11137837 | 0.82 | ALDH1A1 (0.52) | ALDH1A1ALOX12SMN1; SMN2 | |
| SCHEMBL11057730 | 0.82 | ALDH1A1 (0.35) | ALDH1A1TP53CYP3A4TDP1ALOX12 | |
| SCHEMBL11053221 | 0.81 | CA1 (0.34) | ALDH1A1TP53CYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL11138433 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TDP1ALOX12 | |
| SCHEMBL11053231 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4TDP1ALOX12 | |
| SCHEMBL11057843 | 0.79 | GAA (0.36) | ALDH1A1TP53CYP3A4TDP1ALOX12 |
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-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4418209-A | ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS | WILLIAM H. RORER, INC. (US) | 1983-11-29 | — | — | 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 |