Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 19/20 | 0.67 |
| ▸ | AURKB | Q96GD4 | 8/20 | 0.67 |
| ▸ | CDK2 | P24941 | 8/20 | 0.67 |
| ▸ | ABL1 | P00519 | 4/20 | 0.67 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.67 |
| ▸ | RET | P07949 | 3/20 | 0.67 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.67 |
| ▸ | BCR | P11274 | 3/20 | 0.67 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.67 |
| ▸ | PLK4 | O00444 | 2/20 | 0.67 |
| ▸ | JAK2 | O60674 | 2/20 | 0.67 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.67 |
| ▸ | LCK | P06239 | 2/20 | 0.67 |
| ▸ | FYN | P06241 | 2/20 | 0.67 |
| ▸ | FES | P07332 | 2/20 | 0.67 |
| ▸ | LYN | P07948 | 2/20 | 0.67 |
| ▸ | SRC | P12931 | 2/20 | 0.67 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.67 |
| ▸ | FER | P16591 | 2/20 | 0.67 |
| ▸ | MARK3 | P27448 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL21372408 | 1.00 | AURKA (0.67) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL21372312 | 0.90 | AURKA (0.68) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL21372407 | 0.90 | AURKA (0.68) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL29188480 | 0.84 | AURKA (0.79) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL29188478 | 0.84 | AURKA (0.79) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL18471602 | 0.83 | AURKA (0.59) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL25649544 | 0.82 | AURKA (0.77) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL31100334 | 0.82 | AURKA (0.71) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL18484432 | 0.81 | AURKA (0.83) | AURKAAURKBCDK2ABL1NTRK1 | |
| SCHEMBL3486749 | 0.81 | AURKA (0.85) | AURKAAURKBCDK2ABL1NTRK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3133069-B1 | BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF | SHENZHEN YONGZE PHARMACEUTICAL CO LTD (CN) | 2019-09-18 | — | — | EP | disclosed |