Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 2/20 | 0.41 |
| ▸ | TTK | P33981 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2491307 | 0.90 | ITK (0.42) | ITKTTKAURKBINCENPKIT | |
| SCHEMBL10134543 | 0.89 | ITK (0.41) | ITKTTKAURKBINCENPKIT | |
| SCHEMBL6766131 | 0.87 | HTT (0.44) | ITKKITSRCFLT3ALDH1A1 | |
| SCHEMBL2489637 | 0.85 | KIT (0.38) | ITKKITSRCFLT3NR1H4 | |
| SCHEMBL1542657 | 0.84 | CYP3A4 (0.49) | ITKTTKAURKAAURKBINCENP | |
| SCHEMBL6832471 | 0.76 | PTGS2 (0.38) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL1542748 | 0.76 | CYP3A4 (0.47) | ITKKITSRCFLT3NR1H4 | |
| SCHEMBL6765715 | 0.75 | ERBB2 (0.44) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL6766113 | 0.75 | PTGS2 (0.37) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL2492954 | 0.75 | IKBKB (0.40) | BCAT2KDM4ECCNE2CCNE1CDK2 |
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-2379534-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | claimed |