Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EHMT2 | Q96KQ7 | 6/20 | 0.48 |
| ▸ | KDM1A | O60341 | 4/20 | 0.48 |
| ▸ | RCOR1 | Q9UKL0 | 4/20 | 0.48 |
| ▸ | FLT3 | P36888 | 5/20 | 0.48 |
| ▸ | NSD2 | O96028 | 3/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 2/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4040588 | 0.98 | EHMT2 (0.47) | EHMT2KDM1ARCOR1FLT3NSD2 | |
| SCHEMBL12780012 | 0.87 | FLT3 (0.56) | FLT3AURKAJAK2KITIRAK4 | |
| SCHEMBL12780015 | 0.85 | FLT3 (0.54) | FLT3AURKAJAK2KITIRAK4 | |
| SCHEMBL4039088 | 0.84 | FLT3 (0.51) | FLT3AURKAJAK2KITIRAK4 | |
| SCHEMBL4040144 | 0.81 | HRH3 (0.48) | FLT3NSD2KITACHEPDE5A | |
| SCHEMBL4048046 | 0.81 | ALDH1A1 (0.49) | EHMT2KDM1ARCOR1FLT3NSD2 | |
| SCHEMBL12779995 | 0.80 | FLT3 (0.57) | FLT3AURKAJAK2KITIRAK4 | |
| SCHEMBL4041990 | 0.79 | FLT3 (0.74) | FLT3AURKAJAK2KITIRAK4 | |
| SCHEMBL4039353 | 0.77 | FLT3 (0.71) | FLT3AURKAJAK2KITIRAK4 | |
| SCHEMBL12780136 | 0.76 | FLT3 (0.52) | FLT3AURKAJAK2KITIRAK4 |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |