Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.47 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.47 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.47 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 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 | |
|---|---|---|---|---|
| SCHEMBL28507472 | 0.86 | MAP4K1 (0.49) | ROCK2ROCK1CDC42BPBMAP4K1 | |
| SCHEMBL28508735 | 0.84 | MAP4K1 (0.61) | MAP4K1TNIKPAK1 | |
| SCHEMBL28507178 | 0.82 | TNIK (0.50) | ROCK2ROCK1CDC42BPBMAP4K1CDC42BPA | |
| SCHEMBL28906256 | 0.82 | MAP4K1 (0.63) | MAP4K1CHEK1DYRK1AKDM4E | |
| SCHEMBL28514903 | 0.80 | MAPK1 (0.51) | ROCK2ROCK1CDC42BPBCDC42BPAXDH | |
| SCHEMBL21590294 | 0.79 | ROCK2 (0.52) | ROCK2ROCK1CDC42BPBMAP4K1CDC42BPA | |
| SCHEMBL28504524 | 0.78 | MAP4K1 (0.46) | ROCK2ROCK1CDC42BPBMAP4K1CDC42BPA | |
| SCHEMBL28769137 | 0.78 | MAP4K1 (0.49) | ROCK2ROCK1MAP4K1TNIKPAK1 | |
| SCHEMBL29888838 | 0.78 | MAP4K1 (0.49) | ROCK2ROCK1MAP4K1TNIKPAK1 | |
| SCHEMBL21592703 | 0.77 | MAP4K1 (0.50) | MAP4K1XDHTNIKTBK1HPGD |
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-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |