Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.54 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | S100B | P04271 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042384 | 0.87 | ALDH1A1 (0.49) | KMOCDC7ROCK2MAP4K4CDK2 | |
| SCHEMBL435611 | 0.82 | KMO (0.52) | KMOCDC7ROCK2MAP4K4CDK2 | |
| SCHEMBL12801571 | 0.78 | KMO (0.51) | KMOMAP4K4CDK2ALDH1A1TDP1 | |
| SCHEMBL23850712 | 0.74 | HDAC3 (0.52) | CDC7ROCK2MAP4K4CDK2GSK3B | |
| SCHEMBL3761043 | 0.74 | CAMK2D (0.64) | KMOCAMK2D | |
| SCHEMBL23850971 | 0.71 | S100B (0.49) | CDC7ROCK2MAP4K4CDK2GSK3B | |
| SCHEMBL23850847 | 0.71 | S100B (0.49) | CDC7ROCK2MAP4K4CDK2GSK3B | |
| SCHEMBL16990762 | 0.71 | ROCK2 (0.59) | KMOCDC7ROCK2MAP4K4CDK2 | |
| SCHEMBL10080361 | 0.71 | CCNA2 (0.47) | CDK2GSK3BCLK4 | |
| SCHEMBL12801634 | 0.70 | KMO (0.50) | KMOCDK2CLK4ALDH1A1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013024282-A2 | COMPOUNDS AND THEIR USES | DOMAINEX LIMITED (GB) | 2013-02-21 | — | — | WO | disclosed |
| WO-2012010826-A1 | PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMAINEX LIMITED (GB) | 2012-01-26 | — | — | WO | disclosed |