Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8010370 | 0.82 | CYP2A6 (0.44) | ALDH1A1CYP2A6HSD11B1 | |
| SCHEMBL8056029 | 0.81 | KCNJ11 (0.32) | — | |
| SCHEMBL8020132 | 0.80 | CYP2A6 (0.41) | ALDH1A1CYP2A6HSD11B1 | |
| SCHEMBL29447338 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP2A6 | |
| SCHEMBL3955072 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP2A6 | |
| SCHEMBL8056037 | 0.79 | ACP3 (0.31) | — | |
| SCHEMBL8059160 | 0.79 | CYP2A6 (0.36) | ALDH1A1CYP2A6 | |
| SCHEMBL29695262 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP2A6 | |
| SCHEMBL8927612 | 0.77 | — | — | |
| Potassium SCHEMBL29695394 | 0.77 | WDR5 (0.37) | ALDH1A1CYP2A6 |
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-0704449-B1 | Process for the preparation of diphosphanes | CELANESE CHEM EUROPE GMBH (DE) | 2000-05-24 | — | — | EP | disclosed |
| EP-0704449-A1 | Diphosphanes and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-04-03 | — | — | EP | disclosed |