Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.66 |
| ▸ | GAK | O14976 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | FBP1 | P09467 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL226341 | 1.00 | EGFR (0.66) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL1134119 | 0.96 | EGFR (0.61) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL1943518 | 0.95 | EGFR (0.69) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL12536544 | 0.93 | EGFR (0.65) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL12754569 | 0.93 | EGFR (0.67) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL12536557 | 0.92 | EGFR (0.63) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL12743510 | 0.92 | EGFR (0.65) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL14489912 | 0.91 | EGFR (0.72) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL29623598 | 0.91 | EGFR (0.69) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL185131 | 0.91 | EGFR (0.69) | EGFRGAKALDH1A1FBP1MAPT |
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-110840847-B | Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases | 沃泰克斯药物股份有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-110713489-B | Heteroaryl SYK inhibitors | 勃林格殷格翰国际有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-110183440-B | Heteroaryl SYK inhibitors | 勃林格殷格翰国际有限公司 | 2022-04-22 | — | — | CN | disclosed |