Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 8/20 | 0.55 |
| ▸ | CHUK | O15111 | 7/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.50 |
| ▸ | LCK | P06239 | 2/20 | 0.50 |
| ▸ | MELK | Q14680 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.43 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL70622 | 0.98 | IKBKB (0.53) | IKBKBCHUKROCK1LCKMELK | |
| SCHEMBL23021681 | 0.88 | CHRNB2 (0.47) | IKBKBCHUKROCK1LCKMELK | |
| SCHEMBL8271735 | 0.87 | IKBKB (0.55) | IKBKBCHUKROCK1LCKMELK | |
| Hydrochloric Acid SCHEMBL4120289 | 0.86 | IKBKB (0.53) | IKBKBCHUKROCK1LCKMELK | |
| SCHEMBL14239774 | 0.82 | IKBKB (0.50) | IKBKBCHUKROCK1LCKMELK | |
| SCHEMBL23021684 | 0.81 | SYK (0.44) | IKBKBCHUKCHRNB2CHRNA4 | |
| SCHEMBL12193216 | 0.80 | IKBKB (0.72) | IKBKBCHUKROCK1LCKMKNK1 | |
| Hydrochloric Acid SCHEMBL2505884 | 0.79 | IKBKB (0.70) | IKBKBCHUKROCK1LCKMKNK1 | |
| SCHEMBL12192882 | 0.79 | IKBKB (0.50) | IKBKBCHUKROCK1LCKMELK | |
| SCHEMBL12192883 | 0.78 | IKBKB (0.62) | IKBKBCHUKROCK1LCKROCK2 |
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-2021032148-A1 | AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2021-02-25 | — | — | WO | disclosed |