Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 4/20 | 0.37 |
| ▸ | RORB | Q92753 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28994016 | 0.91 | ADRB2 (0.40) | HCRTR1HCRTR2ADRB2CTSARORB | |
| SCHEMBL28889307 | 0.85 | ADRB2 (0.38) | ADRB2AURKAKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28889381 | 0.82 | ADRB2 (0.39) | GPBAR1ADRB2ALDH1A1L3MBTL1 | |
| SCHEMBL28889339 | 0.80 | ADRB2 (0.42) | ADRB2AURKACTSAALDH1A1L3MBTL1 | |
| SCHEMBL28959168 | 0.80 | HDAC4 (0.44) | ADRB2AURKA | |
| SCHEMBL28889367 | 0.79 | ADRB2 (0.41) | ADRB2AURKAALDH1A1L3MBTL1 | |
| SCHEMBL28889298 | 0.79 | ADRB2 (0.39) | ADRB2AURKAKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL29893770 | 0.79 | HDAC4 (0.43) | ADRB2AURKAUSP2KMT2A | |
| SCHEMBL28889170 | 0.79 | HDAC4 (0.43) | ADRB2AURKAUSP2KMT2A | |
| SCHEMBL24110333 | 0.79 | TACR1 (0.45) | ADRB2AURKAALDH1A1 |
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 |