Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 6/20 | 0.57 |
| ▸ | KIT | P10721 | 5/20 | 0.57 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.57 |
| ▸ | AURKA | O14965 | 2/20 | 0.57 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 6/20 | 0.43 |
| ▸ | INSR | P06213 | 3/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 4/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12780729 | 0.90 | FLT3 (0.60) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL4043415 | 0.90 | FLT3 (0.60) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL4041958 | 0.88 | FLT3 (0.51) | FLT3KITIRAK4AURKAINSR | |
| SCHEMBL4041616 | 0.83 | FLT3 (0.57) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL12780733 | 0.83 | FLT3 (0.57) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL4045421 | 0.79 | FLT3 (0.60) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL12780730 | 0.79 | FLT3 (0.60) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL4039188 | 0.78 | FLT3 (0.70) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL4041811 | 0.78 | FLT3 (0.68) | FLT3KITIRAK4AURKAPTK2 | |
| SCHEMBL12780690 | 0.78 | FLT3 (0.53) | FLT3KITIRAK4AURKAINSR |
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 |