Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | TYK2 | P29597 | 1/20 | 0.42 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7748723 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2A6MAP4K4MINK1CLK4 | |
| SCHEMBL13804176 | 0.74 | CYP1A2 (0.54) | ABL1CYP1A2CYP2A6CLK4CHEK1 | |
| SCHEMBL14092556 | 0.73 | NOTUM (0.43) | CYP1A2CYP2A6MAP4K4MINK1CLK4 | |
| Hydrochloric Acid SCHEMBL7398907 | 0.72 | CYP1A2 (0.52) | ABL1CYP1A2CYP2A6CLK4CHEK1 | |
| SCHEMBL12915410 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP2A6MAP4K4MINK1CLK4 | |
| SCHEMBL4628387 | 0.70 | NOTUM (0.46) | ABL1CYP1A2CYP2A6CHEK1NOTUM | |
| SCHEMBL25242404 | 0.70 | PDPK1 (0.54) | CYP1A2CYP2A6MAP4K4MINK1CLK4 | |
| SCHEMBL3662977 | 0.70 | CHEK1 (0.49) | ABL1CYP1A2CYP2A6MAP4K4MINK1 | |
| SCHEMBL6684693 | 0.69 | CHEK1 (0.49) | ABL1CYP1A2CYP2A6CHEK1NOTUM | |
| SCHEMBL14599973 | 0.69 | CYP1A2 (0.48) | ABL1CYP1A2CYP2A6CHEK1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| CN-103261167-B | 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof | HOFFMAN-LA ROCHE LTD. (CH) | 2016-05-04 | — | — | CN | claimed |