Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.40 |
| ▸ | CDC25B | P30305 | 2/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK3 | P49761 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30601010 | 0.85 | MAP4K1 (0.44) | MAP4K1NAMPTCYP17A1 | |
| SCHEMBL30600736 | 0.80 | TRPV1 (0.51) | NAMPTCDK5 | |
| SCHEMBL28365698 | 0.80 | TRPV1 (0.51) | NAMPTCDK5 | |
| SCHEMBL30600875 | 0.79 | MAP4K1 (0.61) | MAP4K1CYP17A1 | |
| SCHEMBL25859564 | 0.79 | CLK1 (0.41) | MAP4K1CTSLNAMPTCYP17A1CLK1 | |
| SCHEMBL38660013 | 0.78 | MAP4K1 (0.51) | MAP4K1NAMPTCYP17A1DYRK1ASLC22A12 | |
| SCHEMBL38659708 | 0.76 | MAP4K1 (0.46) | MAP4K1CYP17A1MAOAKMT2A | |
| SCHEMBL26107591 | 0.75 | CYP17A1 (0.52) | NAMPTCYP17A1CLK1CLK2CLK3 | |
| SCHEMBL30596901 | 0.75 | CYP17A1 (0.52) | NAMPTCYP17A1CLK1CLK2CLK3 | |
| SCHEMBL23155544 | 0.75 | NAMPT (0.46) | NAMPTCYP17A1 |
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-110709392-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |