Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 20/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.91 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.91 |
| ▸ | ABL2 | P42684 | 2/20 | 0.91 |
| ▸ | GAK | O14976 | 1/20 | 0.91 |
| ▸ | MLNR | O43193 | 1/20 | 0.91 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.91 |
| ▸ | JAK2 | O60674 | 1/20 | 0.91 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.91 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.91 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.91 |
| ▸ | EGFR | P00533 | 1/20 | 0.91 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.91 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.91 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.91 |
| ▸ | LCK | P06239 | 1/20 | 0.91 |
| ▸ | FYN | P06241 | 1/20 | 0.91 |
| ▸ | PGR | P06401 | 1/20 | 0.91 |
| ▸ | CSF1R | P07333 | 1/20 | 0.91 |
| ▸ | YES1 | P07947 | 1/20 | 0.91 |
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 | |
|---|---|---|---|---|
| SCHEMBL15294699 | 0.95 | ABL1 (1.00) | ABL1CYP3A4KCNH2ABL2GAK | |
| Ponatinib SCHEMBL589260 | 0.95 | ABL1 (1.00) | ABL1CYP3A4KCNH2ABL2GAK | |
| Ponatinib SCHEMBL29353054 | 0.95 | ABL1 (1.00) | ABL1CYP3A4KCNH2ABL2GAK | |
| Ponatinib SCHEMBL29373892 | 0.95 | ABL1 (1.00) | ABL1CYP3A4KCNH2ABL2GAK | |
| Ponatinib SCHEMBL29889039 | 0.95 | ABL1 (1.00) | ABL1CYP3A4KCNH2ABL2GAK | |
| SCHEMBL24685833 | 0.95 | ABL1 (0.90) | ABL1CYP3A4KCNH2ABL2GAK | |
| SCHEMBL15144985 | 0.95 | ABL1 (0.89) | ABL1CYP3A4KCNH2ABL2GAK | |
| Ponatinib SCHEMBL16797824 | 0.94 | ABL1 (0.99) | ABL1CYP3A4KCNH2ABL2GAK | |
| SCHEMBL17235949 | 0.94 | ABL1 (0.88) | ABL1CYP3A4KCNH2ABL2GAK | |
| SCHEMBL16250601 | 0.94 | ABL1 (0.88) | ABL1CYP3A4KCNH2ABL2GAK |
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 |
|---|---|---|---|---|---|---|---|
| US-9969753-B2 | BCR-ABL diploid inhibitor, synthesizing method therefor, and uses thereof | SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) | 2018-05-15 | — | — | US | disclosed |