Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 6/20 | 0.34 |
| ▸ | BMX | P51813 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3659057 | 0.77 | KDM4E (0.37) | KDM4EMAPK1BTKMAPTCYP1A2 | |
| SCHEMBL13894298 | 0.74 | ITK (0.45) | KDM4EMAPK1BTK | |
| SCHEMBL103347 | 0.72 | BTK (0.57) | BTKBMX | |
| SCHEMBL171973 | 0.67 | BTK (0.52) | KDM4EMAPK1BTKBMXMEN1 | |
| SCHEMBL171856 | 0.62 | HDAC3 (0.42) | KDM4EBTKMAPTCYP1A2CYP3A4 | |
| SCHEMBL259419 | 0.61 | MEN1 (0.71) | MAPTTP53MEN1KMT2ANPSR1 | |
| SCHEMBL13201032 | 0.61 | ALDH1A1 (0.65) | KDM4EMEN1KMT2AP4HTMHDAC2 | |
| SCHEMBL13536586 | 0.61 | MAPT (0.51) | KDM4EMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2566647 | 0.60 | HPGDS (0.47) | KDM4EHDAC1P4HTM | |
| SCHEMBL13894290 | 0.60 | ITK (0.58) | BTKBMX |
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-2426109-A1 | NOVEL KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-07 | — | — | EP | disclosed |