Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CDK1 | P06493 | 4/20 | 0.45 |
| ▸ | CDK2 | P24941 | 4/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | SYK | P43405 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27801285 | 0.91 | IKBKB (0.50) | IKBKBKDM4ECA2CA1CA9 | |
| SCHEMBL1633099 | 0.86 | IKBKB (0.65) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1633451 | 0.83 | CA2 (0.58) | IKBKBKDM4ECA2CA1CA9 | |
| SCHEMBL1634724 | 0.81 | IKBKB (0.62) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1570959 | 0.81 | CDK2 (0.50) | IKBKBKDM4ECA2CA1CA9 | |
| SCHEMBL1571219 | 0.80 | IKBKB (0.48) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1631544 | 0.80 | CDK1 (0.51) | IKBKBKDM4ECA2CA1CA9 | |
| SCHEMBL1633423 | 0.80 | IKBKB (0.63) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1633690 | 0.80 | IKBKB (0.57) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1633518 | 0.80 | SYK (0.53) | IKBKBCA2CA1CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101652352-A | Quinazolines for PDK1 inhibition | NOVARTIS VACCINES & DIAGNOSTIC | 2010-02-17 | — | — | CN | disclosed |