Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 3/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7811136 | 1.00 | ALDH1A1 (0.45) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL14601914 | 0.79 | CTSK (0.54) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL13043801 | 0.79 | CTSK (0.54) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL7807134 | 0.79 | GAA (0.44) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL7807139 | 0.79 | GAA (0.44) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL14337553 | 0.75 | CASP3 (0.53) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL13043811 | 0.75 | CASP3 (0.53) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL12879744 | 0.73 | MEN1 (0.48) | ALDH1A1GAATSHRADORA1CPB1 | |
| SCHEMBL33525492 | 0.73 | ALDH1A1 (0.50) | ALDH1A1GAACTSBCTSKCTSL | |
| SCHEMBL21111192 | 0.73 | CPB1 (0.49) | ALDH1A1GAACTSBCTSKCTSL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0855397-B1 | (R)-5-BROMO-N-(1-ETHYL-4-METHYLHEXAHYDRO-1H-1,4-DIAZEPIN-6-YL)-2-METHOXY-6-METHYLAMINO-3-PYRIDINE-CARBOXAMIDE, PROCESS FOR PRODUCING THE SAME AND MEDICINAL COMPOSITION CONTAINING THE SAME | DAINIPPON PHARMACEUTICAL CO (JP) | 2001-05-09 | — | — | EP | disclosed |
| US-5945415-A | GASTROINTESTINAL DISORDERS | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1999-08-31 | — | — | US | disclosed |
| EP-0855397-A1 | (R)-5-BROMO-N-(1-ETHYL-4-METHYLHEXAHYDRO-1H-1,4-DIAZEPIN-6-YL)-2-METHOXY-6-METHYLAMINO-3-PYRIDINE-CARBOXAMIDE, PROCESS FOR PRODUCING THE SAME AND MEDICINAL COMPOSITION CONTAINING THE SAME | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1998-07-29 | — | — | EP | disclosed |