Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.35 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27511326 | 0.85 | MAP4K4 (0.43) | AAK1ACACBACACAMAP4K4KMO | |
| Acetic Acid SCHEMBL9941297 | 0.79 | KMO (0.47) | MAP4K4KMOKDM4EKDM6BKDM5C | |
| SCHEMBL29152464 | 0.75 | GPR119 (0.45) | GPR119 | |
| Tert-Butyl Formate SCHEMBL27569476 | 0.75 | TDP1 (0.48) | AAK1MAP4K4KMOHSD17B1HSD17B2 | |
| Methyl Alcohol SCHEMBL21630012 | 0.74 | — | — | |
| SCHEMBL391152 | 0.73 | HDAC1 (0.51) | GPR119KDM4E | |
| SCHEMBL632201 | 0.72 | — | — | |
| Methylamine SCHEMBL4819184 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL28823448 | 0.70 | — | — | |
| SCHEMBL5557378 | 0.70 | AAK1 (0.48) | AAK1ACACBACACAKDM4EKDM6B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110143945-B | Simple preparation method of 4-substituent methyl-1- (2H) phthalazinone | 新发药业有限公司 | 2021-01-01 | — | — | CN | claimed |
| CN-110143945-A | A kind of simple and convenient process for preparing of 4- substituent group methyl-1-(2H) phthalazone | 新发药业有限公司 | 2019-08-20 | — | — | CN | claimed |
| CN-110143945-B | Simple preparation method of 4-substituent methyl-1- (2H) phthalazinone | 新发药业有限公司 | 2021-01-01 | — | — | CN | disclosed |