Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060045 | 0.91 | HTT (0.51) | ALDH1A1ALOX12SMN1; SMN2MAPTLMNA | |
| SCHEMBL11141200 | 0.89 | ALDH1A1 (0.46) | ALDH1A1ALOX12SMN1; SMN2MAPTLMNA | |
| SCHEMBL11141205 | 0.87 | ALDH1A1 (0.44) | ALDH1A1ALOX12SMN1; SMN2MAPTLMNA | |
| SCHEMBL11051530 | 0.86 | GAA (0.50) | ALDH1A1ALOX12SMN1; SMN2MAPTLMNA | |
| SCHEMBL11274661 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALOX12SMN1; SMN2MAPTNLRP3 | |
| SCHEMBL5520049 | 0.85 | ALDH1A1 (0.58) | ALDH1A1ALOX12SMN1; SMN2MAPTLMNA | |
| SCHEMBL30013966 | 0.85 | ALDH1A1 (0.70) | ALDH1A1ALOX12SMN1; SMN2MAPTLMNA | |
| SCHEMBL11137123 | 0.84 | HTT (0.43) | ALDH1A1ALOX12SMN1; SMN2MAPTHTT | |
| SCHEMBL11140670 | 0.84 | HTT (0.46) | ALDH1A1ALOX12SMN1; SMN2MAPTLMNA | |
| SCHEMBL11136950 | 0.84 | GAA (0.44) | ALDH1A1ALOX12SMN1; SMN2MAPTMAPK1 |
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 |