Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31337562 | 0.91 | TDP1 (0.36) | TDP1ALDH1A1KDM4EALOX5GAA | |
| SCHEMBL1247139 | 0.89 | TDP1 (0.34) | TDP1ALDH1A1KDM4EALOX5GAA | |
| SCHEMBL1246772 | 0.89 | TDP1 (0.34) | TDP1ALDH1A1KDM4EALOX5GAA | |
| SCHEMBL1247063 | 0.89 | PGK1 (0.38) | TDP1ALDH1A1KDM4EALOX5GAA | |
| SCHEMBL63871 | 0.85 | TDP1 (0.53) | TDP1ALDH1A1KDM4EALOX5GAA | |
| SCHEMBL31337521 | 0.83 | CALM1 (0.43) | ALDH1A1TNKS2 | |
| SCHEMBL1247184 | 0.80 | TDP1 (0.52) | TDP1ALDH1A1KDM4EALOX5GAA | |
| SCHEMBL331501 | 0.78 | TRPA1 (0.47) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL24197605 | 0.78 | TDP1 (0.42) | TDP1ALDH1A1KDM4EALOX5GAA | |
| SCHEMBL1109793 | 0.78 | CA2 (0.59) | TDP1ALDH1A1KDM4EALOX5GAA |
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 |
| CN-119552171-A | Macrocyclic pyrazolopyrimidine compound and application thereof | 浙江养生堂天然药物研究所有限公司 | 2025-03-04 | — | — | CN | disclosed |