Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.51 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CCND2 | P30279 | 1/20 | 0.48 |
| ▸ | CCND3 | P30281 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | BTK | Q06187 | 3/20 | 0.40 |
| ▸ | ITK | Q08881 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19544928 | 0.83 | MAPT (0.52) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL19754300 | 0.82 | MAPT (0.54) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL31688432 | 0.81 | BRAF (0.52) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL1614114 | 0.81 | KDM4E (0.54) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL3345919 | 0.78 | ABCB11 (0.51) | BRAFMAPTKDM4EHDAC3HDAC1 | |
| SCHEMBL10382992 | 0.76 | RAB9A (0.44) | MAPTKDM4EKCNH3HDAC3HDAC1 | |
| SCHEMBL17561055 | 0.75 | KCNH3 (0.47) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL21442807 | 0.75 | APP (0.49) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL18434115 | 0.74 | KCNH3 (0.53) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL8339774 | 0.74 | MAPT (0.52) | MAPTKDM4E |
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-3246317-A1 | BTK INHIBITOR | Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) | 2017-11-22 | — | — | EP | disclosed |