Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.36 |
| ▸ | NT5E | P21589 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | 0.88 | CYP3A4 (0.37) | CYP3A4CYP2D6HSP90AA1TRAP1NT5E | |
| SCHEMBL31337465 | 0.86 | CYP3A4 (0.36) | CYP3A4CYP2D6HSP90AA1TRAP1NT5E | |
| SCHEMBL31337282 | 0.86 | HSP90AA1 (0.38) | CYP3A4CYP2D6HSP90AA1TRAP1NT5E | |
| SCHEMBL31337509 | 0.83 | ADORA2A (0.40) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL31337273 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL31337397 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL21482042 | 0.81 | ADORA2A (0.44) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL31337411 | 0.78 | CYP3A4 (0.36) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL31337355 | 0.76 | HSP90AA1 (0.34) | CYP3A4CYP2D6HSP90AA1TRAP1HSP90AB1 | |
| SCHEMBL31337368 | 0.74 | HSP90AA1 (0.42) | CYP3A4CYP2D6HSP90AA1TRAP1HSP90AB1 |
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 |