Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17174926 | 0.86 | KDM4E (0.41) | NAMPT | |
| SCHEMBL17161617 | 0.85 | BACE1 (0.33) | NAMPTSIRT2 | |
| SCHEMBL19022370 | 0.84 | TOP2A (0.41) | CYP17A1NAMPTTOP2ATOP2BMAPK14 | |
| SCHEMBL2797957 | 0.84 | SIRT2 (0.50) | CYP17A1NAMPTTOP2ATOP2BCA12 | |
| SCHEMBL31139283 | 0.84 | SIRT2 (0.50) | CYP17A1NAMPTTOP2ATOP2BCA12 | |
| SCHEMBL12639204 | 0.83 | CYP17A1 (0.55) | CYP17A1NAMPTMAPK14CA12CA1 | |
| SCHEMBL31160327 | 0.83 | TOP2A (0.43) | CYP17A1NAMPTTOP2ATOP2BCA12 | |
| SCHEMBL15972019 | 0.82 | CYP17A1 (0.48) | CYP17A1NAMPTTOP2ATOP2BMAPK14 | |
| SCHEMBL30530906 | 0.82 | CYP17A1 (0.48) | CYP17A1NAMPTTOP2ATOP2BMAPK14 | |
| SCHEMBL14659184 | 0.82 | RAB9A (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025050636-A1 | MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF | 浙江养生堂天然药物研究所有限公司 | 2025-03-13 | — | — | WO | disclosed |
| WO-2024199069-A1 | POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF | 浙江养生堂天然药物研究所有限公司 | 2024-10-03 | — | — | WO | disclosed |