Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.44 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL594299 | 0.77 | BCHE (0.47) | BCHEAHRKEAP1PDPK1TRPA1 | |
| SCHEMBL3789623 | 0.77 | BCHE (0.51) | BCHEAHRKEAP1PDPK1TRPA1 | |
| SCHEMBL4718619 | 0.74 | KEAP1 (0.49) | BCHEAHRKEAP1PDPK1TRPA1 | |
| SCHEMBL11064711 | 0.73 | ALDH1A1 (0.54) | PGRKDM4EALDH1A1HSD17B10MAPK1 | |
| SCHEMBL594125 | 0.71 | BCHE (0.56) | BCHEAHRKEAP1PDPK1CA1 | |
| SCHEMBL20049021 | 0.71 | BCHE (0.51) | BCHEAHRKEAP1PDPK1TRPA1 | |
| SCHEMBL28307887 | 0.71 | BCHE (0.51) | BCHEAHRKEAP1PDPK1TRPA1 | |
| SCHEMBL837602 | 0.70 | L3MBTL1 (0.51) | BCHEAHRMAPK1 | |
| SCHEMBL3870264 | 0.70 | BCHE (0.48) | BCHEAHRKEAP1PDPK1CA1 | |
| SCHEMBL5334267 | 0.70 | BCHE (0.44) | BCHEAHRKEAP1PDPK1TRPA1 |
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-0469833-B1 | N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them | LILLY CO ELI (GB) | 1999-09-08 | — | — | EP | disclosed |
| US-5281593-A | Pharmaceuticals | LILLY INDUSTRIES LIMITED (GB) | 1994-01-25 | — | — | US | disclosed |
| EP-0469833-A1 | N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them | LILLY INDUSTRIES LIMITED (GB) | 1992-02-05 | — | — | EP | disclosed |