Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 8/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | PI4KA | P42356 | 3/20 | 0.49 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.49 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.49 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.46 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL244259 | 0.83 | FLT3 (0.63) | FLT3PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL8062689 | 0.82 | PIK3CA (0.64) | FLT3PIK3CAPIK3R1MTORPIK3CG | |
| SCHEMBL7953276 | 0.81 | PIK3CA (0.52) | FLT3ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL7955199 | 0.79 | FLT3 (0.53) | FLT3PDGFRAPIK3CAPIK3R1MTOR | |
| SCHEMBL30677274 | 0.79 | PIK3CA (0.47) | PIK3CAPIK3R1MTORKDM4EALDH1A1 | |
| SCHEMBL12910338 | 0.78 | FLT3 (0.55) | FLT3PDGFRAPIK3CAPIK3R1MTOR | |
| SCHEMBL1568883 | 0.78 | PIK3CA (0.65) | FLT3PIK3CAPIK3R1MTORPIK3CG | |
| SCHEMBL11961117 | 0.78 | PIK3CA (0.54) | ADORA2AADORA1PIK3CAPIK3R1MTOR | |
| SCHEMBL1571104 | 0.78 | PIK3CA (0.58) | FLT3PIK3CAPIK3R1MTORPIK3CG | |
| SCHEMBL1569285 | 0.77 | PIK3CA (0.50) | FLT3PI4KBPIK3CAPIK3R1MTOR |
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-2016091916-A1 | PYRAZOLYLAMINOPURINES AS ITK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-16 | — | — | WO | disclosed |