Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.59 |
| ▸ | KDR | P35968 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 14/20 | 0.54 |
| ▸ | CA9 | Q16790 | 10/20 | 0.50 |
| ▸ | CA1 | P00915 | 9/20 | 0.50 |
| ▸ | CA12 | O43570 | 6/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | IKBKB | O14920 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 3/20 | 0.45 |
| ▸ | CDK7 | P50613 | 3/20 | 0.45 |
| ▸ | CDK9 | P50750 | 3/20 | 0.45 |
| ▸ | CDK4 | P11802 | 2/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.45 |
| ▸ | CCNH | P51946 | 2/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28246733 | 0.97 | CDK1 (0.60) | CDK1KDRCA2CA9CA1 | |
| SCHEMBL28059063 | 0.90 | CDK1 (0.54) | CDK1KDRCA2CA9CA1 | |
| SCHEMBL28246722 | 0.88 | CDK1 (0.50) | CDK1KDRCA2IKBKBCDK2 | |
| SCHEMBL28247410 | 0.85 | CDK1 (0.51) | CDK1KDRCA2IKBKBCDK2 | |
| SCHEMBL28865198 | 0.82 | CDK1 (0.50) | CDK1KDRCA2CA9CA1 | |
| SCHEMBL3997330 | 0.81 | AURKA (0.58) | CDK1KDRCA2CA9CA1 | |
| SCHEMBL28246652 | 0.79 | CDK1 (0.47) | CDK1KDRCA2CA9CA1 | |
| SCHEMBL28956762 | 0.78 | CDK2 (0.49) | CDK1KDRIKBKBCDK2CDK7 | |
| SCHEMBL4001420 | 0.78 | AURKA (0.59) | CDK1KDRCA2CA9CA1 | |
| SCHEMBL1804386 | 0.74 | CA2 (1.00) | CA2CA9CA1CA12CA14 |
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-105348203-B | Inhibit the composition and method of JAK approach | 里格尔药品股份有限公司 | 2018-09-18 | — | — | CN | disclosed |