Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 12/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | DHPS | P49366 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | BMX | P51813 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL171856 | 0.80 | HDAC3 (0.42) | BTKRAB9ANPC1ALDH1A1KDM4E | |
| SCHEMBL7291942 | 0.73 | RAB9A (0.64) | BTKPPARGNR1H4RAB9ANPC1 | |
| SCHEMBL171471 | 0.71 | BTK (0.67) | BTKPPARGNR1H4RAB9ANPC1 | |
| SCHEMBL7295331 | 0.71 | RAB9A (0.67) | BTKPPARGNR1H4RAB9ANPC1 | |
| SCHEMBL17645699 | 0.70 | BTK (0.53) | BTKPPARGNR1H4RAB9ANPC1 | |
| SCHEMBL7294705 | 0.69 | MAPT (0.82) | BTKPPARGNR1H4RAB9ANPC1 | |
| SCHEMBL1041220 | 0.69 | RAB9A (0.64) | BTKPPARGNR1H4RAB9ANPC1 | |
| SCHEMBL15720838 | 0.68 | BTK (1.00) | BTKPPARGNR1H4RAB9ANPC1 | |
| SCHEMBL1038341 | 0.67 | BTK (0.70) | BTK | |
| SCHEMBL14646782 | 0.67 | BTK (0.61) | BTKPPARGNR1H4DHPSBMX |
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 |