Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 3/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.34 |
| ▸ | CCNH | P51946 | 2/20 | 0.34 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30957591 | 1.00 | EGFR (0.42) | EGFRDYRK1APDK1CDK7LRRK2 | |
| SCHEMBL24900433 | 0.88 | PDK1 (0.47) | EGFRPDK1CDK7LRRK2CCNH | |
| SCHEMBL30957473 | 0.88 | PDK1 (0.47) | EGFRPDK1CDK7LRRK2CCNH | |
| SCHEMBL30221565 | 0.85 | PDK1 (0.47) | EGFRPDK1CDK7LRRK2CDK5 | |
| SCHEMBL24900656 | 0.85 | PDK1 (0.47) | EGFRPDK1CDK7LRRK2CDK5 | |
| SCHEMBL24900722 | 0.84 | PDK1 (0.39) | PDK1CDK7LRRK2CDK5CDK5R1 | |
| SCHEMBL30957512 | 0.84 | PDK1 (0.39) | PDK1CDK7LRRK2CDK5CDK5R1 | |
| SCHEMBL24900406 | 0.84 | EGFR (0.51) | EGFRPDK1CDK7CCNHMNAT1 | |
| SCHEMBL30221531 | 0.84 | EGFR (0.51) | EGFRPDK1CDK7CCNHMNAT1 | |
| SCHEMBL24900563 | 0.83 | EGFR (0.39) | EGFRDYRK1APDK1CDK7LRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023287783-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | ACEA Therapeutics, Inc. (US) | 2023-01-19 | — | — | WO | disclosed |