Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28889345 | 0.90 | ADRB2 (0.37) | ALDH1A1GAATDP1MEN1GFER | |
| SCHEMBL28889210 | 0.85 | ADRB2 (0.40) | ALDH1A1GAATDP1MEN1GFER | |
| SCHEMBL28889190 | 0.85 | ADRB2 (0.40) | ALDH1A1GAAADRB2NOS3NOS2 | |
| SCHEMBL28889197 | 0.85 | ADRB2 (0.38) | ALDH1A1GAAADRB2NOS3NOS2 | |
| SCHEMBL28889203 | 0.85 | ALDH1A1 (0.50) | ALDH1A1GAAADRB2NOS3NOS2 | |
| SCHEMBL28889348 | 0.85 | GAA (0.42) | ALDH1A1GAAADRB2NOS3NOS2 | |
| SCHEMBL28994023 | 0.83 | KDM4E (0.41) | ALDH1A1MEN1KMT2AADRB2NOS3 | |
| SCHEMBL24110401 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GAATDP1MEN1KMT2A | |
| SCHEMBL28889153 | 0.82 | ADRB2 (0.40) | ALDH1A1GAAADRB2NOS3NOS2 | |
| SCHEMBL28889285 | 0.80 | ALDH1A1 (0.41) | ALDH1A1GAATDP1MEN1GFER |
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 |