Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11282058 | 0.86 | MAPT (0.49) | ALDH1A1GAAMAPTKMT2AHTT | |
| SCHEMBL5452442 | 0.84 | MAPT (0.72) | ALDH1A1GAAMAPTKMT2AL3MBTL1 | |
| SCHEMBL11137266 | 0.83 | ALDH1A1 (0.67) | ALDH1A1GAAMAPTKMT2AL3MBTL1 | |
| SCHEMBL11055252 | 0.83 | POLB (0.54) | ALDH1A1GAAMAPTKMT2AHTT | |
| SCHEMBL11142252 | 0.83 | HTT (0.50) | ALDH1A1GAAMAPTKMT2AHTT | |
| Hydrochloric Acid SCHEMBL11141377 | 0.82 | HTT (0.49) | ALDH1A1GAAMAPTKMT2AHTT | |
| SCHEMBL9453905 | 0.82 | MAPT (0.79) | ALDH1A1GAAMAPTKMT2AL3MBTL1 | |
| SCHEMBL6154940 | 0.78 | ALDH1A1 (0.58) | ALDH1A1GAAMAPTKMT2AHTT | |
| SCHEMBL11137394 | 0.77 | ALDH1A1 (0.43) | ALDH1A1GAAMAPTKMT2AL3MBTL1 | |
| SCHEMBL11171600 | 0.76 | EPHX1 (0.68) | ALDH1A1GAAMAPTKMT2AL3MBTL1 |
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 |