Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 18/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 18/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8290925 | 0.83 | CYP2D6 (0.49) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| SCHEMBL3464186 | 0.77 | DPP4 (0.54) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| SCHEMBL9942304 | 0.77 | FEN1 (0.44) | CYP1A2CYP3A4CYP2D6MAPTSMN1; SMN2 | |
| SCHEMBL6772767 | 0.77 | SLC6A4 (0.53) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| Bromide SCHEMBL27653706 | 0.76 | DPP4 (0.52) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| Hydrochloric Acid SCHEMBL6048562 | 0.76 | DPP4 (0.52) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| SCHEMBL17888364 | 0.75 | KCNA5 (0.55) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| SCHEMBL743498 | 0.72 | CYP1A2 (0.43) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| SCHEMBL6771225 | 0.72 | CYP1A2 (0.47) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 | |
| SCHEMBL207285 | 0.71 | GRM2 (0.45) | CYP1A2CYP3A4ALDH1A1CYP2C19CLK4 |
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 |