Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 8/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 4/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.33 |
| ▸ | PIM1 | P11309 | 3/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1014720 | 0.84 | CHUK (0.38) | PDK2HSP90AA1HSP90AB1CHUKCHEK1 | |
| SCHEMBL31095475 | 0.84 | CHUK (0.38) | PDK2HSP90AA1HSP90AB1CHUKCHEK1 | |
| SCHEMBL19667434 | 0.82 | PDK2 (0.44) | PDK2PDK4HSP90AA1HSP90AB1CHUK | |
| SCHEMBL15401745 | 0.81 | CHEK1 (0.53) | PDK2PDK4HSP90AA1HSP90AB1CHUK | |
| SCHEMBL10938074 | 0.81 | PDK2 (0.42) | PDK2PDK4HSP90AA1HSP90AB1CHUK | |
| SCHEMBL13215442 | 0.81 | PDK2 (0.42) | PDK2PDK4HSP90AA1HSP90AB1CHUK | |
| SCHEMBL1738453 | 0.81 | CHUK (0.58) | HSP90AA1HSP90AB1CHUKCHEK1 | |
| SCHEMBL1900144 | 0.79 | HSP90AB1 (0.42) | HSP90AB1CHUKCDK9LMNAKMT2A | |
| SCHEMBL10185949 | 0.79 | HSP90AB1 (0.39) | HSP90AB1CHUKDYRK1ALMNA | |
| SCHEMBL10307717 | 0.79 | DYRK1A (0.38) | HSP90AA1HSP90AB1DYRK1ADYRK2DYRK1B |
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-2018121228-A1 | COMPOUND HAVING AXL INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2018-07-05 | — | — | WO | disclosed |
| WO-2018094137-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) | 2018-05-24 | — | — | WO | disclosed |