Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 12/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 11/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 10/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27990140 | 0.76 | NPC1 (0.46) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL9603319 | 0.74 | CYP2A6 (0.47) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL6657577 | 0.72 | CYP2A6 (0.67) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL12715362 | 0.71 | CYP3A4 (0.56) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL11505498 | 0.71 | CYP3A4 (0.66) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| Hydrochloric Acid SCHEMBL11504513 | 0.69 | CYP2A6 (0.63) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL11832976 | 0.68 | CYP3A4 (0.56) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL23781637 | 0.67 | CYP2A6 (0.97) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7807368 | 0.67 | CYP2A6 (0.46) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL805123 | 0.66 | HSD17B2 (0.52) | S1PR2S1PR4S1PR1S1PR5MAPT |
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 |