Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.37 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21797145 | 0.94 | KMO (0.44) | KMOMAP4K4EIF2AK4ELOVL1HSD11B1 | |
| SCHEMBL28607925 | 0.94 | KMO (0.44) | KMOMAP4K4EIF2AK4ELOVL1HSD11B1 | |
| SCHEMBL28601014 | 0.80 | MAP4K4 (0.35) | KMOMAP4K4EIF2AK4ELOVL1NPC1 | |
| SCHEMBL21796661 | 0.80 | GRIN2B (0.43) | MAP4K4PIK3CDUSP30 | |
| SCHEMBL20899405 | 0.80 | SCN9A (0.42) | KMOMAP4K4EIF2AK4ELOVL1NPC1 | |
| SCHEMBL18399166 | 0.80 | GRIN2B (0.43) | MAP4K4PIK3CDUSP30 | |
| SCHEMBL22873464 | 0.80 | SCN9A (0.42) | KMOMAP4K4EIF2AK4ELOVL1NPC1 | |
| SCHEMBL20899406 | 0.80 | SCN9A (0.42) | KMOMAP4K4EIF2AK4ELOVL1NPC1 | |
| SCHEMBL21796840 | 0.80 | GRIN2B (0.43) | MAP4K4PIK3CDUSP30 | |
| SCHEMBL23525833 | 0.73 | LRRK2 (0.47) | LRRK2 |
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-108137510-B | Compound (I) | 葛兰素史密斯克莱知识产权发展有限公司 | 2021-07-20 | — | — | CN | disclosed |