Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28889143 | 0.86 | ADRB2 (0.42) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL28889170 | 0.85 | HDAC4 (0.43) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL29893770 | 0.85 | HDAC4 (0.43) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL24110333 | 0.84 | TACR1 (0.45) | ADRB2NOS3NOS2AURKAEPHX1 | |
| SCHEMBL28889331 | 0.82 | ADRB2 (0.43) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL28889226 | 0.81 | AURKA (0.42) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL28889280 | 0.81 | AURKA (0.40) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL29893620 | 0.81 | AURKA (0.40) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL29893670 | 0.81 | AURKA (0.40) | ADRB2NOS3NOS2AURKANR3C2 | |
| SCHEMBL28889316 | 0.81 | AURKA (0.40) | ADRB2NOS3NOS2AURKANR3C2 |
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 |