Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | WNT1 | P04628 | 7/20 | 0.33 |
| ▸ | GSK3B | P49841 | 7/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 7/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.33 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | BCR | P11274 | 2/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 6/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071296 | 0.85 | ABL1 (0.33) | ABL1BCRRIPK1LMNAPIK3CD | |
| SCHEMBL29921315 | 0.84 | RAF1 (0.39) | — | |
| SCHEMBL29071273 | 0.83 | RIPK1 (0.40) | ABL1BCRRIPK1 | |
| SCHEMBL29922008 | 0.83 | RIPK1 (0.40) | ABL1BCRRIPK1 | |
| SCHEMBL29071309 | 0.80 | RAF1 (0.39) | ABL1BCRRIPK1 | |
| SCHEMBL29921890 | 0.80 | RAF1 (0.39) | ABL1BCRRIPK1 | |
| SCHEMBL29071280 | 0.77 | RAF1 (0.36) | ABL1BCRRIPK1PIK3CD | |
| SCHEMBL29921947 | 0.76 | ABL1 (0.46) | ABL1BCRRIPK1 | |
| SCHEMBL29071266 | 0.76 | ABL1 (0.46) | ABL1BCRRIPK1 | |
| SCHEMBL29921953 | 0.75 | ABL1 (0.42) | NTRK1ABL1BCRRIPK1 |
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-2022188792-A1 | HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-09-15 | — | — | WO | disclosed |