Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15872971 | 0.91 | RAF1 (0.36) | TBK1PIM1GAAPIM3PIM2 | |
| SCHEMBL2519461 | 0.91 | TBK1 (0.35) | TBK1PIM1GAAPIM3PIM2 | |
| SCHEMBL15873244 | 0.77 | PIM1 (0.40) | PIM1PIM3PIM2LCKATR | |
| SCHEMBL2522933 | 0.76 | PIM1 (0.41) | PIM1GAAPIM3PIM2LCK | |
| SCHEMBL18269886 | 0.74 | PIM1 (0.41) | PIM1PIM3PIM2LCK | |
| SCHEMBL15573888 | 0.73 | LCK (0.35) | LCKBRAF | |
| SCHEMBL15882963 | 0.73 | HSD17B1 (0.34) | PIM1PIM3PIM2HSD17B1HSD17B2 | |
| SCHEMBL18931654 | 0.73 | TRPM8 (0.38) | PIM1PIM3PIM2LCK | |
| SCHEMBL28048977 | 0.71 | S1PR3 (0.34) | P2RX3LCKBRAF | |
| SCHEMBL15572598 | 0.71 | DHODH (0.38) | ALDH1A1LCKKDM4EBRAF |
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-2556066-B1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2016-10-19 | — | — | EP | disclosed |