Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.35 |
| ▸ | BCHE | P06276 | 8/20 | 0.34 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11006418 | 0.85 | HSD17B1 (0.35) | HSD17B1HSD17B2BCHEACHECYP3A4 | |
| SCHEMBL11011939 | 0.79 | BCHE (0.37) | BCHEACHECYP3A4 | |
| SCHEMBL3866344 | 0.77 | GSK3B (0.34) | BCHE | |
| SCHEMBL11004064 | 0.68 | MAOA (0.38) | BCHE | |
| SCHEMBL9569336 | 0.65 | BACE1 (0.36) | BCHE | |
| SCHEMBL11010863 | 0.65 | GSK3B (0.32) | — | |
| SCHEMBL8559832 | 0.65 | GSK3B (0.34) | — | |
| SCHEMBL9569380 | 0.63 | GSK3B (0.34) | BCHEACHE | |
| SCHEMBL11005893 | 0.62 | GSK3B (0.34) | BCHE | |
| SCHEMBL11011280 | 0.61 | CACNA1C (0.35) | BCHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4497817-A | ANTIALLERGENS-IMMUNOSUPPRESSIVE AGENTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1985-02-05 | — | — | US | disclosed |