Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LATS1 | O95835 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29640832 | 0.77 | MAPK9 (0.37) | LATS1MEN1KMT2AHSP90AA1MAPK9 | |
| SCHEMBL29640833 | 0.77 | MAPK9 (0.37) | LATS1MEN1KMT2AHSP90AA1MAPK9 | |
| SCHEMBL38655465 | 0.75 | GRM5 (0.46) | MEN1KMT2AMAPK9ALDH1A1MAPK13 | |
| SCHEMBL29627704 | 0.74 | HSP90AA1 (0.42) | LATS1HSP90AA1MAPK9KDM4EALDH1A1 | |
| SCHEMBL6449580 | 0.74 | HSP90AA1 (0.42) | LATS1HSP90AA1MAPK9KDM4EALDH1A1 | |
| SCHEMBL8891318 | 0.74 | KDM4E (0.65) | HSP90AA1KDM4EALDH1A1NPC1TDP1 | |
| SCHEMBL2679072 | 0.74 | NPC1 (0.47) | MEN1KMT2ANPC1MAPT | |
| SCHEMBL8892702 | 0.73 | NPC1 (0.44) | KDM4EADORA2AADORA1NPC1TDP1 | |
| SCHEMBL25295479 | 0.72 | TP53 (0.48) | LATS1HSP90AA1MAPK9MAPK13RAF1 | |
| SCHEMBL5989213 | 0.72 | HSP90AA1 (0.44) | LATS1HSP90AA1MAPK9MAPK13RAF1 |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |