Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | TYK2 | P29597 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632083 | 0.91 | IKBKB (0.47) | SYKJAK2JAK1TYK2JAK3 | |
| SCHEMBL12724910 | 0.87 | SYK (0.49) | SYKJAK2JAK1TYK2JAK3 | |
| SCHEMBL1633219 | 0.87 | SYK (0.49) | SYKCTSLCTSBCTSSCTSK | |
| SCHEMBL13498327 | 0.86 | IKBKB (0.43) | SYKJAK2JAK1TYK2JAK3 | |
| SCHEMBL1633454 | 0.85 | SYK (0.46) | SYKCLK4JAK2JAK1TYK2 | |
| SCHEMBL1632964 | 0.85 | USP2 (0.49) | SYKUSP2CYP1A2CYP3A4CLK4 | |
| SCHEMBL1633323 | 0.84 | IDH2 (0.49) | SYKCTSLCTSKAURKAALDH1A1 | |
| SCHEMBL1635190 | 0.84 | SYK (0.49) | SYKCYP3A4CLK4JAK2JAK1 | |
| SCHEMBL12724942 | 0.83 | MARK3 (0.49) | SYKJAK2JAK1TYK2JAK3 | |
| SCHEMBL1633616 | 0.83 | IKBKB (0.48) | SYKCTSLCTSBCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |