Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 15/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 15/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8290926 | 0.83 | CYP1A2 (0.49) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL8279412 | 0.80 | DPP4 (0.53) | CYP1A2CYP2C19 | |
| SCHEMBL17888364 | 0.79 | KCNA5 (0.55) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL6772767 | 0.78 | SLC6A4 (0.53) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL743498 | 0.76 | CYP1A2 (0.43) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL28102007 | 0.76 | CYP1A2 (0.47) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL3464186 | 0.75 | DPP4 (0.54) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| Bromide SCHEMBL27653706 | 0.73 | DPP4 (0.52) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6048562 | 0.73 | DPP4 (0.52) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL6048563 | 0.73 | SLC6A4 (0.54) | CYP2D6CYP1A2CYP3A4CLK4ALDH1A1 |
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-2005032490-A2 | CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |