Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 3/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | CDK9 | P50750 | 3/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNH | P51946 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1634500 | 0.78 | SYK (0.49) | IKBKBSYKCA1CA2CA9 | |
| SCHEMBL1633709 | 0.78 | SYK (0.47) | IKBKBJAK2JAK1TYK2JAK3 | |
| SCHEMBL1633722 | 0.77 | SYK (0.51) | IKBKBJAK2JAK1TYK2JAK3 | |
| SCHEMBL1633270 | 0.76 | IKBKB (0.52) | IKBKBJAK2JAK1TYK2JAK3 | |
| SCHEMBL1632121 | 0.76 | SYK (0.45) | IKBKBJAK2TYK2SYKCA1 | |
| SCHEMBL13498245 | 0.76 | CDK2 (0.48) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1633545 | 0.76 | JAK2 (0.65) | IKBKBJAK2JAK1TYK2JAK3 | |
| SCHEMBL1632328 | 0.75 | CA2 (0.50) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL4005181 | 0.75 | NTRK1 (0.54) | JAK2JAK1JAK3SYKCDK2 | |
| SCHEMBL1632055 | 0.75 | CCNE1 (0.46) | IKBKBJAK2JAK1TYK2JAK3 |
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 |