Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ITK | Q08881 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KRAS | P01116 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| SCHEMBL796051 | 1.00 | ACACB (0.43) | ACACBALDH1A1L3MBTL1KDM4EEGFR | |
| SCHEMBL28530061 | 1.00 | ACACB (0.43) | ACACBALDH1A1L3MBTL1KDM4EEGFR | |
| SCHEMBL30484274 | 0.91 | ALDH1A1 (0.43) | ACACBALDH1A1L3MBTL1KDM4ENAMPT | |
| SCHEMBL26458925 | 0.91 | ALDH1A1 (0.43) | ACACBALDH1A1L3MBTL1KDM4ENAMPT | |
| SCHEMBL28522216 | 0.88 | ALDH1A1 (0.45) | ACACBALDH1A1L3MBTL1KDM4EPOLB | |
| SCHEMBL14480299 | 0.84 | ACACB (0.42) | ACACBEGFRITKNAMPTGPR119 | |
| SCHEMBL14480338 | 0.84 | ACACB (0.42) | ACACBEGFRITKNAMPTGPR119 | |
| SCHEMBL23147699 | 0.83 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1KDM4ENAMPTPOLB | |
| SCHEMBL30222191 | 0.83 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1KDM4ENAMPTPOLB | |
| SCHEMBL28520364 | 0.82 | P4HTM (0.45) | ACACBKDM4EEGFRITKNAMPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-112409360-B | Heteroaryl vinyl xanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-112409360-A | Heteroaryl vinyl xanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2021-02-26 | — | — | CN | disclosed |