Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28889153 | 0.86 | ADRB2 (0.40) | ADRB2KCNN4NOS3NOS2GAA | |
| SCHEMBL28889282 | 0.85 | ALDH1A1 (0.40) | ADRB2KCNN4NOS3NOS2GAA | |
| SCHEMBL28889345 | 0.83 | ADRB2 (0.37) | ADRB2KCNN4NOS3NOS2GAA | |
| SCHEMBL28889369 | 0.83 | ADRB2 (0.38) | ADRB2KCNN4NOS3NOS2TRPV3 | |
| SCHEMBL28889203 | 0.82 | ALDH1A1 (0.50) | ADRB2NOS3NOS2GAATRPV3 | |
| SCHEMBL28889210 | 0.82 | ADRB2 (0.40) | ADRB2KCNN4NOS3NOS2GAA | |
| SCHEMBL28889190 | 0.82 | ADRB2 (0.40) | ADRB2KCNN4NOS3NOS2GAA | |
| SCHEMBL28889163 | 0.81 | GAA (0.46) | ADRB2KCNN4NOS3NOS2GAA | |
| SCHEMBL28994023 | 0.80 | KDM4E (0.41) | ADRB2NOS3NOS2TRPV3L3MBTL1 | |
| SCHEMBL28889348 | 0.78 | GAA (0.42) | ADRB2KCNN4NOS3NOS2GAA |
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-2022222911-A1 | PYRIMIDONE COMPOUND AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-10-27 | — | — | WO | disclosed |
| CN-115215862-A | Pyrimidone compounds and uses thereof | 武汉人福创新药物研发中心有限公司 | 2022-10-21 | — | — | CN | disclosed |