Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL31345548 | 0.93 | ADORA1 (0.54) | ADORA2AADORA1HDAC4HDAC3HDAC7 | |
| SCHEMBL28404203 | 0.93 | ADORA1 (0.54) | ADORA2AADORA1HDAC4HDAC3HDAC7 | |
| SCHEMBL29249991 | 0.91 | ADORA1 (0.52) | ADORA2AADORA1HDAC4HDAC3HDAC7 | |
| SCHEMBL13295151 | 0.88 | ADORA2A (0.50) | ADORA2AADORA1 | |
| SCHEMBL5564307 | 0.79 | CLK4 (0.53) | ADORA2AADORA1USP30 | |
| SCHEMBL3718460 | 0.78 | HCRTR1 (0.43) | ADORA2AADORA1HDAC4HDAC3HDAC7 | |
| SCHEMBL3708477 | 0.77 | CHRNA7 (0.45) | ADORA2AADORA1HDAC4HDAC3HDAC7 | |
| SCHEMBL2325287 | 0.76 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL19950946 | 0.76 | NPC1 (0.47) | ADORA2AADORA1ASIC3USP30 | |
| SCHEMBL5558067 | 0.75 | ADORA2A (0.46) | ADORA2AADORA1HDAC4HDAC3HDAC7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116589425-A | Cathepsin L inhibitors | 百放英库医药科技(北京)有限公司 | 2023-08-15 | — | — | CN | disclosed |