Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 3/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | TYK2 | P29597 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL6459705 | 0.88 | GRIN2B (0.43) | ALDH1A1GAAMAPK8MAPK9MAPK10 | |
| SCHEMBL6459707 | 0.88 | GRIN2B (0.43) | ALDH1A1GAAMAPK8MAPK9MAPK10 | |
| SCHEMBL6876646 | 0.86 | MAPK8 (0.42) | TSHRMAPK8MAPK9MAPK10ACHE | |
| SCHEMBL6876639 | 0.86 | MAPK8 (0.42) | TSHRMAPK8MAPK9MAPK10ACHE | |
| SCHEMBL6874044 | 0.85 | AURKA (0.50) | ALDH1A1MAPK8MAPK9MAPK10 | |
| SCHEMBL6874037 | 0.85 | AURKA (0.50) | ALDH1A1MAPK8MAPK9MAPK10 | |
| SCHEMBL28316716 | 0.85 | ALDH1A1 (0.66) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL21227854 | 0.85 | ALDH1A1 (0.66) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL6877124 | 0.82 | EPHX2 (0.47) | EPHX1MAPK8MAPK9MAPK10 | |
| SCHEMBL6877131 | 0.82 | EPHX2 (0.47) | EPHX1MAPK8MAPK9MAPK10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |