Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL28959168 | 0.90 | HDAC4 (0.44) | ADRB2AURKAHDAC4HDAC3HDAC1 | |
| SCHEMBL28889351 | 0.86 | ADRB2 (0.40) | ADRB2AURKANR3C2NOS3NOS2 | |
| SCHEMBL28889159 | 0.85 | GPBAR1 (0.41) | ADRB2AURKAALDH1A1L3MBTL1KDM4E | |
| SCHEMBL28889298 | 0.84 | ADRB2 (0.39) | ADRB2AURKANR3C2NOS3NOS2 | |
| SCHEMBL28889339 | 0.82 | ADRB2 (0.42) | ADRB2AURKANR3C2NOS3NOS2 | |
| SCHEMBL28889221 | 0.81 | ADRB2 (0.41) | ADRB2NR3C2NOS3NOS2ALDH1A1 | |
| SCHEMBL28889170 | 0.81 | HDAC4 (0.43) | ADRB2AURKAHDAC4HDAC7HDAC5 | |
| SCHEMBL29893770 | 0.81 | HDAC4 (0.43) | ADRB2AURKAHDAC4HDAC7HDAC5 | |
| SCHEMBL28889367 | 0.81 | ADRB2 (0.41) | ADRB2AURKANR3C2NOS3NOS2 | |
| SCHEMBL24110333 | 0.81 | TACR1 (0.45) | ADRB2AURKANOS3NOS2ALDH1A1 |
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 |