Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 3/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL28946226 | 0.76 | PARP1 (0.46) | PDPK1NPC1LMNAMAPTNQO2 | |
| SCHEMBL1623051 | 0.70 | DHPS (0.42) | HSP90AA1HSP90AB1PKMNPC1LMNA | |
| SCHEMBL23004817 | 0.70 | PDE4A (0.44) | ATMEGFRKRASSOS1MAPT | |
| SCHEMBL20511938 | 0.70 | PDE4A (0.44) | PKMATMEGFRKRASSOS1 | |
| SCHEMBL372259 | 0.69 | PDE4A (0.54) | EGFRKRASSOS1NQO2FBP1 | |
| SCHEMBL29723105 | 0.69 | PDE4A (0.54) | EGFRKRASSOS1NQO2FBP1 | |
| SCHEMBL15618043 | 0.68 | APLNR (0.55) | HSP90AA1PKMNPC1LMNAPOLB | |
| SCHEMBL3831280 | 0.67 | ALDH1A1 (0.44) | PDPK1MAP4K1PDGFRBNPC1MAPT | |
| SCHEMBL3239822 | 0.67 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1PKMSOS1NPC1 | |
| SCHEMBL7748193 | 0.67 | KDM4E (0.54) | NPC1LMNAMAPTNQO2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |