Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13837867 | 0.86 | STAT6 (0.49) | P2RX7PTK2STAT6JAK2CDK1 | |
| SCHEMBL30019422 | 0.86 | STAT6 (0.41) | PTK2STAT6FYNSRCRPS6KA3 | |
| SCHEMBL30019380 | 0.83 | KCNH2 (0.42) | CYP2C19CYP1A2JAK2CYP2C9HDAC6 | |
| SCHEMBL27845067 | 0.78 | RPS6KA3 (0.36) | PTK2STAT6RPS6KA3KMT2A | |
| SCHEMBL28793690 | 0.78 | RPS6KA3 (0.33) | PTK2STAT6RPS6KA3KMT2A | |
| SCHEMBL30019499 | 0.78 | SIGMAR1 (0.45) | PTK2CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28212561 | 0.78 | CYP1A2 (0.47) | HTTPTK2CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL24150591 | 0.77 | KMO (0.50) | JAK2POLBHDAC6 | |
| SCHEMBL3712175 | 0.76 | PAK1 (0.35) | PTK2STAT6JAK2CDK1AURKA | |
| SCHEMBL4187055 | 0.75 | GLO1 (0.41) | HTTKMT2APOLBALDH1A1TSHR |
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-2022226290-A1 | 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2022-10-27 | — | — | WO | disclosed |