Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | NEK2 | P51955 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | COMT | P21964 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL173272 | 0.80 | AKR1B1 (0.39) | CHEK1CDK8NEK2LIMK1HSP90AA1 | |
| SCHEMBL254830 | 0.80 | AKR1B1 (0.38) | CHEK1CDK8NEK2LIMK1AKR1B1 | |
| SCHEMBL177328 | 0.76 | AURKA (0.52) | — | |
| SCHEMBL178180 | 0.76 | AURKA (0.40) | AKR1B1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL15366689 | 0.76 | SOD1 (0.48) | AKR1B1MEN1KMT2ACOMTMAPT | |
| SCHEMBL174448 | 0.74 | HTR6 (0.38) | CHEK1CDK8NEK2LIMK1HSP90AA1 | |
| SCHEMBL163371 | 0.73 | EGFR (0.47) | MEN1KMT2AMAPTGAAEGFR | |
| SCHEMBL159925 | 0.72 | SCN9A (0.40) | CHEK1CDK8NEK2LIMK1COMT | |
| SCHEMBL174377 | 0.72 | SCN9A (0.46) | — | |
| SCHEMBL14488472 | 0.72 | PIK3CA (0.43) | CHEK1CDK8NEK2LIMK1AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2663553-A2 | QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2013-11-20 | — | — | EP | disclosed |
| WO-2012030944-A2 | QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |