Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 5/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | EPM2A | O95278 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1116477 | 0.79 | HTR1B (0.49) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL13153074 | 0.75 | CYP2A6 (0.46) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL11355784 | 0.75 | DYRK1A (0.46) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL24783507 | 0.75 | CYP2A6 (0.46) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL6001072 | 0.75 | CYP2A6 (0.46) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL10240011 | 0.74 | HTR1B (0.46) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL20419335 | 0.74 | HTR1B (0.49) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| Hydrochloric Acid SCHEMBL7556243 | 0.73 | DYRK1A (0.44) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL27387804 | 0.72 | CYP2A6 (0.47) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL20419257 | 0.71 | HTR1B (0.44) | CYP2A6HTR1BDYRK1ACDK9EPM2A |
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-2021039961-A1 | RING-FUSED PYRAZOLE DERIVATIVE | 大日本住友製薬株式会社 | 2021-03-04 | — | — | WO | disclosed |