Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 12/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 11/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 10/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9603258 | 0.74 | CYP2A6 (0.49) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL6657577 | 0.68 | CYP2A6 (0.67) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL720013 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL21381239 | 0.64 | CYP2A6 (0.68) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL21381226 | 0.64 | CYP2A6 (0.67) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL11832976 | 0.64 | CYP3A4 (0.56) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL11505498 | 0.63 | CYP3A4 (0.66) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL21492649 | 0.63 | CYP2A6 (0.66) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL27914213 | 0.63 | CYP2A6 (0.66) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL23781637 | 0.62 | CYP2A6 (0.97) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 |
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-1993002071-A1 | METHOD FOR PRODUCING DIFURAN DIAMMONIUM SALTS OR DIFURAN DIAMINES AND COMPOUNDS THEREBY OBTAINED | FURCHIM (FR) | 1993-02-04 | — | — | WO | disclosed |