Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28135571 | 0.77 | MIF (0.50) | CES2CES1KEAP1MIF | |
| SCHEMBL27588165 | 0.72 | CES2 (0.34) | CES2CES1KEAP1 | |
| SCHEMBL4443347 | 0.71 | MIF (0.52) | MIF | |
| SCHEMBL4759960 | 0.70 | — | — | |
| SCHEMBL8099297 | 0.67 | MIF (0.44) | MIF | |
| SCHEMBL28136339 | 0.67 | CYP2C19 (0.41) | CES2CES1KEAP1MIF | |
| SCHEMBL1101155 | 0.66 | — | — | |
| SCHEMBL170362 | 0.66 | — | — | |
| SCHEMBL7776094 | 0.66 | — | — | |
| SCHEMBL1205995 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |