Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060096 | 0.87 | ALDH1A1 (0.36) | ALDH1A1MAPTGAACACNA1CSCN5A | |
| SCHEMBL11051176 | 0.86 | ALDH1A1 (0.32) | ALDH1A1MAPTGAAALOX12SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11141378 | 0.85 | GRIN2D (0.35) | ALDH1A1MAPTGAACACNA1CSCN5A | |
| SCHEMBL11053011 | 0.85 | POLB (0.37) | ALDH1A1MAPTGAAALOX12SMN1; SMN2 | |
| SCHEMBL11054052 | 0.85 | ALDH1A1 (0.50) | ALDH1A1MAPTGAAALOX12SMN1; SMN2 | |
| SCHEMBL11060169 | 0.85 | KMT2A (0.45) | ALDH1A1MAPTGAAMEN1KMT2A | |
| SCHEMBL11057749 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPTGAASMN1; SMN2TP53 | |
| SCHEMBL11057149 | 0.84 | CACNA1C (0.38) | ALDH1A1CACNA1CSCN5ASMN1; SMN2GABRA1 | |
| SCHEMBL11059269 | 0.83 | HTT (0.37) | ALDH1A1MAPTGAAALOX12SMN1; SMN2 | |
| SCHEMBL11141768 | 0.83 | GABRA1 (0.39) | ALDH1A1MAPTGAACACNA1CSCN5A |
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 |