Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31337453 | 0.87 | CYP3A4 (0.37) | CYP3A4CYP2D6ADORA2AADORA1POLB | |
| SCHEMBL31337282 | 0.85 | HSP90AA1 (0.38) | CYP3A4CYP2D6ADORA2AADORA1POLB | |
| SCHEMBL31337465 | 0.85 | CYP3A4 (0.36) | CYP3A4CYP2D6ADORA2AADORA1POLB | |
| SCHEMBL21481606 | 0.84 | ADORA2A (0.52) | CYP3A4CYP2D6ADORA2AADORA1PRMT5 | |
| SCHEMBL31385338 | 0.84 | ADORA2A (0.52) | CYP3A4CYP2D6ADORA2AADORA1PRMT5 | |
| SCHEMBL21485535 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2D6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL31337368 | 0.82 | HSP90AA1 (0.42) | CYP3A4CYP2D6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL31337509 | 0.82 | ADORA2A (0.40) | CYP3A4CYP2D6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL31337477 | 0.82 | CYP3A4 (0.37) | CYP3A4CYP2D6ADORA2AADORA1POLB | |
| SCHEMBL31337514 | 0.82 | ADORA2A (0.41) | CYP3A4CYP2D6ADORA2AADORA1HSP90AA1 |
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 |