Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 15/20 | 0.55 |
| ▸ | BCHE | P06276 | 10/20 | 0.52 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 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 | |
|---|---|---|---|---|
| SCHEMBL2458150 | 0.83 | ACHE (0.74) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL8409986 | 0.77 | ACHE (0.61) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL14288615 | 0.76 | ACHE (0.59) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL82414 | 0.74 | POLB (0.59) | ACHEBCHEPRMT6 | |
| SCHEMBL12655116 | 0.74 | ACHE (0.63) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL7998986 | 0.74 | ACHE (0.57) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL613164 | 0.73 | ACHE (0.55) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL8610492 | 0.73 | ACHE (0.61) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL9839086 | 0.73 | ACHE (0.61) | ACHEBCHEPRMT6CYP2A6CYP2C19 | |
| SCHEMBL6419073 | 0.73 | ACHE (0.55) | ACHEBCHEPRMT6CYP2A6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000029400-A2 | PROCEDURE FOR SYNTHESIS OF N-[2[[[5- [(DIALKILAMINO) METHYL]-2- FURANYL] METHYL]THYO] ETHYL]-N'- ALKYL-2-NITRO1,1 ALKENEDIAMINES AND THEIR HYDROCHLORIDES | DD'ZDRAVLJE'- FARMACEUTSKO-HEMIJSKA INDUSTRIJA D.D. U. MEŠOVITOJ SVOJINI (YU) | 2000-05-25 | — | — | WO | disclosed |