Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.51 |
| ▸ | AURKA | O14965 | 3/20 | 0.51 |
| ▸ | BTK | Q06187 | 11/20 | 0.48 |
| ▸ | JAK3 | P52333 | 4/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21704944 | 1.00 | RPS6KB1 (0.51) | RPS6KB1AURKABTKJAK3PDPK1 | |
| Hydrochloric Acid SCHEMBL21678391 | 0.99 | RPS6KB1 (0.50) | RPS6KB1AURKABTKJAK3PDPK1 | |
| Hydrochloric Acid SCHEMBL21678388 | 0.99 | RPS6KB1 (0.50) | RPS6KB1AURKABTKJAK3PDPK1 | |
| SCHEMBL21704901 | 0.97 | RPS6KB1 (0.52) | RPS6KB1AURKABTKJAK3PDPK1 | |
| SCHEMBL21704900 | 0.97 | RPS6KB1 (0.52) | RPS6KB1AURKABTKJAK3PDPK1 | |
| Hydrochloric Acid SCHEMBL21678645 | 0.96 | RPS6KB1 (0.51) | RPS6KB1AURKABTKJAK3PDPK1 | |
| Hydrochloric Acid SCHEMBL21678642 | 0.96 | RPS6KB1 (0.51) | RPS6KB1AURKABTKJAK3PDPK1 | |
| SCHEMBL21678361 | 0.88 | RPS6KB1 (0.53) | RPS6KB1AURKABTKJAK3PDPK1 | |
| SCHEMBL21678365 | 0.88 | RPS6KB1 (0.53) | RPS6KB1AURKABTKJAK3PDPK1 | |
| Hydrochloric Acid SCHEMBL31070105 | 0.87 | BTK (0.49) | RPS6KB1AURKABTKJAK3PDPK1 |
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-2020033955-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | ACLARIS THERAPEUTICS, INC. (US) | 2020-02-13 | — | — | WO | disclosed |