Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 5/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11269539 | 0.92 | GAA (0.54) | GAAPDK1PDK2PDK3PDK4 | |
| SCHEMBL11821329 | 0.90 | PDK1 (0.39) | GAAPDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL11812850 | 0.88 | PDK1 (0.38) | GAAPDK1PDK2PDK3PDK4 | |
| SCHEMBL11287194 | 0.88 | POLB (0.42) | GAAMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL10612997 | 0.86 | PDK1 (0.48) | GAAPDK1PDK2PDK3PDK4 | |
| SCHEMBL11137553 | 0.86 | GAA (0.57) | GAAPDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL11141191 | 0.85 | GAA (0.60) | GAAPDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL11505921 | 0.85 | PKM (0.48) | GAAPDK1PDK2PDK3PDK4 | |
| SCHEMBL4099012 | 0.84 | GAA (0.54) | GAAPDK1PDK2PDK3PDK4 | |
| SCHEMBL11272793 | 0.83 | GAA (0.33) | GAAPDK1PDK2PDK3PDK4 |
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-4326075-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4203920-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |
| US-4060635-A | Amidinoureas for treating diarrhea | WILLIAM H. RORER, INC. (US) | 1977-11-29 | — | — | US | disclosed |