Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13522728 | 0.85 | CDC25B (0.49) | KDM4EALDH1A1HSD17B10MAPTNPC1 | |
| SCHEMBL1805758 | 0.82 | IKBKB (0.55) | KDM4EALDH1A1HSD17B10PARP1IKBKB | |
| SCHEMBL24633560 | 0.81 | ALDH1A1 (0.44) | KDM4EALDH1A1MAPTNPC1MAPK1 | |
| SCHEMBL22489533 | 0.81 | ALDH1A1 (0.60) | KDM4EALDH1A1HSD17B10MAPTNPC1 | |
| SCHEMBL25516265 | 0.81 | MAPT (0.43) | KDM4EALDH1A1HSD17B10MAPTHTT | |
| SCHEMBL25515246 | 0.75 | MAPT (0.34) | KDM4EALDH1A1HSD17B10MAPTNPC1 | |
| SCHEMBL12073780 | 0.75 | CHEK2 (0.40) | KDM4E | |
| SCHEMBL27448425 | 0.74 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10PARP1IKBKB | |
| SCHEMBL22890834 | 0.74 | THRB (0.52) | KDM4EALDH1A1HSD17B10MAPTF2 | |
| SCHEMBL8412857 | 0.73 | ALDH1A1 (0.49) | KDM4EALDH1A1HSD17B10PARP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023078337-A1 | CDK8/19 DUAL INHIBITORS AND METHODS OF USE | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-11 | — | — | WO | disclosed |