Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 3/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14480105 | 1.00 | NOS3 (0.48) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL5666361 | 1.00 | NOS3 (0.48) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL31482165 | 1.00 | NOS3 (0.48) | NOS3NOS2CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL17823862 | 0.98 | NOS3 (0.46) | NOS3NOS2CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL27966625 | 0.98 | NOS3 (0.46) | NOS3NOS2CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL14480345 | 0.98 | NOS3 (0.46) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL19445223 | 0.84 | NOS3 (0.50) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL20279981 | 0.83 | NOS3 (0.45) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL101583 | 0.81 | CCR1 (0.50) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL17108557 | 0.77 | CCR1 (0.46) | NOS3NOS2CCR1CCR5CCR8 |
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-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |