Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 3/20 | 0.43 |
| ▸ | ITK | Q08881 | 10/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 6/20 | 0.40 |
| ▸ | FLT3 | P36888 | 6/20 | 0.40 |
| ▸ | KIT | P10721 | 5/20 | 0.40 |
| ▸ | TTK | P33981 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL108970 | 0.86 | BTK (0.59) | BTKMAOBKDM4EALDH1A1CYP1A2 | |
| SCHEMBL13893949 | 0.83 | ITK (0.57) | BTKITKSRCFLT3KIT | |
| SCHEMBL13894290 | 0.80 | ITK (0.58) | BTKITKSRCFLT3KIT | |
| SCHEMBL13894052 | 0.77 | ITK (0.47) | BTKITKSRCFLT3KIT | |
| SCHEMBL13894298 | 0.77 | ITK (0.45) | BTKITKSRCFLT3KIT | |
| SCHEMBL13894037 | 0.75 | ITK (0.50) | BTKITKSRCFLT3KIT | |
| SCHEMBL3870962 | 0.71 | BTK (0.70) | BTKITKSRCFLT3KIT | |
| SCHEMBL171935 | 0.70 | BTK (0.59) | BTKITKSRCFLT3KIT | |
| SCHEMBL171856 | 0.70 | HDAC3 (0.42) | BTKMAOBHDAC3HDAC1AURKA | |
| SCHEMBL13894283 | 0.69 | BTK (0.53) | BTKITKSRCFLT3KIT |
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-2009053269-A1 | NOVEL KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-30 | — | — | WO | disclosed |