Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL15858111 | 0.91 | CYP17A1 (0.46) | CYP17A1CA12CA1CA9TOP2A | |
| SCHEMBL6296543 | 0.87 | CYP17A1 (0.43) | CYP17A1CA12CA1CA9TOP2A | |
| SCHEMBL7477384 | 0.84 | CA12 (0.48) | CYP17A1CA12CA1CA9HDAC8 | |
| SCHEMBL15077304 | 0.83 | CYP17A1 (0.40) | CYP17A1CA12CA1CA9TOP2A | |
| SCHEMBL26162760 | 0.83 | CYP17A1 (0.40) | CYP17A1CA12CA1CA9TOP2A | |
| SCHEMBL22480889 | 0.82 | KDM4E (0.50) | CYP17A1TOP2ATOP2BHDAC8LCK | |
| SCHEMBL15077302 | 0.81 | HRH3 (0.41) | CYP17A1CA12CA1CA9TOP2A | |
| SCHEMBL13833174 | 0.80 | LCK (0.44) | CYP17A1CA12CA1CA9HDAC8 | |
| SCHEMBL30632213 | 0.79 | AURKA (0.49) | CYP17A1CA12CA1CA9HDAC8 | |
| SCHEMBL1865895 | 0.79 | AURKA (0.49) | CYP17A1CA12CA1CA9HDAC8 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4006033-A1 | ADENOSINE RECEPTOR ANTAGONIST | Xiamen Biotime Biotechnology Co., Ltd. (CN) | 2022-06-01 | — | — | EP | disclosed |
| WO-2021018173-A1 | ADENOSINE RECEPTOR ANTAGONIST | 杭州阿诺生物医药科技有限公司 | 2021-02-04 | — | — | WO | disclosed |
| EP-0930298-B1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2002-12-18 | — | — | EP | disclosed |
| US-6040449-A | USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-03-21 | — | — | US | disclosed |
| US-5948792-A | POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0930298-A1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-21 | — | — | EP | disclosed |