Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 0.59 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.47 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KRAS | P01116 | 1/20 | 0.44 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9921365 | 0.93 | EGFR (0.59) | EGFRPIK3CADYRK1ACNR1CNR2 | |
| SCHEMBL9921351 | 0.93 | EGFR (0.59) | EGFRPIK3CADYRK1ACNR1CNR2 | |
| SCHEMBL28513093 | 0.87 | HTT (0.59) | EGFRCNR1CNR2GALR3NR2F2 | |
| SCHEMBL13170964 | 0.85 | GAA (0.57) | EGFRCNR1CNR2GALR3NR2F2 | |
| SCHEMBL13170966 | 0.85 | GAA (0.57) | EGFRCNR1CNR2GALR3NR2F2 | |
| SCHEMBL7263353 | 0.84 | EGFR (0.65) | EGFRPIK3CADYRK1AGALR3NR2F2 | |
| SCHEMBL7263343 | 0.84 | EGFR (0.65) | EGFRPIK3CADYRK1AGALR3NR2F2 | |
| SCHEMBL13170962 | 0.84 | EGFR (0.65) | EGFRPIK3CADYRK1AGALR3NR2F2 | |
| SCHEMBL28509057 | 0.83 | GALR3 (0.69) | EGFRDYRK1AGALR3NR2F2ALDH1A1 | |
| SCHEMBL15756549 | 0.80 | EGFR (0.62) | EGFRPIK3CADYRK1ACNR1CNR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112204010-B | Heterocyclic derivatives and uses thereof | C&C新药研究所 | 2024-03-19 | — | — | CN | claimed |
| CN-112204010-A | Heterocyclic derivatives and use thereof | C&C新药研究所 | 2021-01-08 | — | — | CN | claimed |
| CN-112204010-B | Heterocyclic derivatives and uses thereof | C&C新药研究所 | 2024-03-19 | — | — | CN | disclosed |
| CN-112204010-A | Heterocyclic derivatives and use thereof | C&C新药研究所 | 2021-01-08 | — | — | CN | disclosed |