Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 18/20 | 0.85 |
| ▸ | ABL2 | P42684 | 2/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.82 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.82 |
| ▸ | LCK | P06239 | 2/20 | 0.82 |
| ▸ | SRC | P12931 | 2/20 | 0.82 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.82 |
| ▸ | EPHB2 | P29323 | 2/20 | 0.82 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.82 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.82 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.82 |
| ▸ | GAK | O14976 | 1/20 | 0.82 |
| ▸ | MLNR | O43193 | 1/20 | 0.82 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.82 |
| ▸ | JAK2 | O60674 | 1/20 | 0.82 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.82 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.82 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.82 |
| ▸ | EGFR | P00533 | 1/20 | 0.82 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| SCHEMBL13194694 | 0.97 | ABL1 (0.88) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL16644576 | 0.93 | ABL1 (0.82) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL15242137 | 0.93 | ABL1 (0.85) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL12989619 | 0.92 | ABL1 (1.00) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL589689 | 0.92 | ABL1 (1.00) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL591027 | 0.91 | ABL1 (1.00) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL15473029 | 0.91 | ABL1 (0.83) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL24123124 | 0.91 | ABL1 (1.00) | ABL1ABL2CYP3A4KCNH2LCK | |
| SCHEMBL588806 | 0.90 | ABL1 (1.00) | ABL1ABL2CYP3A4KCNH2LCK | |
| Ponatinib SCHEMBL589260 | 0.90 | ABL1 (1.00) | ABL1ABL2CYP3A4KCNH2LCK |
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-2019161495-A9 | RIPK2 INHIBITORS | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2019-09-19 | — | — | WO | disclosed |