Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | VHL | P40337 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6680176 | 0.82 | LRRK2 (0.44) | LRRK2ALDH1A1GRIA1GRIA3PDE4D | |
| Water SCHEMBL4777584 | 0.80 | GRIA1 (0.47) | LRRK2ALDH1A1GRIA1GRIA3PDE4D | |
| SCHEMBL2918049 | 0.80 | GRIA1 (0.47) | LRRK2ALDH1A1GRIA1GRIA3PDE4D | |
| SCHEMBL6677166 | 0.79 | GRIA1 (0.40) | AURKALRRK2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6686812 | 0.76 | GRIA1 (0.47) | LRRK2ALDH1A1GRIA1GRIA3PDE4D | |
| SCHEMBL6674051 | 0.76 | PARP1 (0.39) | AURKBLRRK2GRIA1GRIA3PDE4D | |
| SCHEMBL1882884 | 0.75 | GRIA1 (0.47) | LRRK2ALDH1A1GRIA1GRIA3PDE4D | |
| SCHEMBL2762970 | 0.75 | MCL1 (0.50) | LRRK2ALDH1A1HSD17B10GRIA1GRIA3 | |
| SCHEMBL4562988 | 0.74 | ADORA2A (0.39) | ADORA2AADORA1LRRK2ALDH1A1GRIA1 | |
| SCHEMBL6691807 | 0.74 | PTGS2 (0.43) | GRIA1GRIA3PDE4D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465626-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | Eisai Co., Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003047577-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | EISAI CO LTD (JP) | 2003-06-12 | — | — | WO | disclosed |