Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.32 |
| ▸ | FEN1 | P39748 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28774690 | 0.87 | MAPT (0.40) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL3334777 | 0.84 | RPS6KA5 (0.44) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL1222435 | 0.79 | SMN1; SMN2 (0.33) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL15944113 | 0.78 | NPC1 (0.43) | MAPTRPS6KA5PIN1L3MBTL1KMT2A | |
| SCHEMBL29190621 | 0.77 | KDM4E (0.36) | ALDH1A1SMN1; SMN2KDM4ELMNAGLA | |
| SCHEMBL22580149 | 0.76 | CLK1 (0.55) | RPS6KA5CHRM5 | |
| SCHEMBL20448204 | 0.76 | AR (0.36) | ALDH1A1SMN1; SMN2MAPTRPS6KA5CHRM5 | |
| SCHEMBL18703734 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAPTPOLBCASP6ALOX5AP | |
| SCHEMBL1263981 | 0.74 | RPS6KA5 (0.43) | ALDH1A1SMN1; SMN2KDM4EMAPTRPS6KA5 | |
| SCHEMBL18416746 | 0.74 | MAPT (0.40) | ALDH1A1SMN1; SMN2KDM4EHPGDMAPT |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-113896744-A | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2022-01-07 | — | — | CN | disclosed |