Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 4/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28889307 | 0.86 | ADRB2 (0.38) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL28889325 | 0.86 | ADRB2 (0.42) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL28959168 | 0.86 | HDAC4 (0.44) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL28889170 | 0.82 | HDAC4 (0.43) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL28889385 | 0.82 | NR3C2 (0.40) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL29893770 | 0.82 | HDAC4 (0.43) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL24110333 | 0.81 | TACR1 (0.45) | ADRB2NOS3NOS2EPHX1AURKA | |
| SCHEMBL28889298 | 0.80 | ADRB2 (0.39) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL28889273 | 0.79 | ADRB2 (0.40) | ADRB2NOS3NOS2NR3C2EPHX1 | |
| SCHEMBL29893638 | 0.79 | MEN1 (0.39) | ADRB2NOS3NOS2NR3C2KDM4E |
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 |