Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL314611 | 1.00 | CYP2A6 (0.37) | CYP2A6NTMT1KDM4EALDH1A1MAPT | |
| SCHEMBL315758 | 0.85 | CYP11B1 (0.37) | CYP2A6KDM4EALDH1A1MAPTCYP3A4 | |
| SCHEMBL315759 | 0.85 | CYP11B1 (0.37) | CYP2A6KDM4EALDH1A1MAPTCYP3A4 | |
| SCHEMBL315135 | 0.84 | PTPN1 (0.34) | NTMT1PTPN1 | |
| SCHEMBL3397292 | 0.84 | PTPN1 (0.34) | NTMT1PTPN1 | |
| SCHEMBL2142166 | 0.84 | ALDH1A1 (0.33) | KDM4EALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL2138203 | 0.84 | ALDH1A1 (0.33) | KDM4EALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL315036 | 0.81 | CYP2C19 (0.35) | CYP2A6ALDH1A1CYP3A4CYP2C19CDC7 | |
| SCHEMBL3401136 | 0.81 | CYP2C19 (0.35) | CYP2A6ALDH1A1CYP3A4CYP2C19CDC7 | |
| SCHEMBL316525 | 0.81 | CYP2A6 (0.34) | CYP2A6NTMT1KDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2066683-B1 | DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT | FOURNIER LAB SA (FR) | 2010-11-03 | — | — | EP | disclosed |