Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 5/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | BAD | Q92934 | 1/20 | 0.35 |
| ▸ | EPRS1 | P07814 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30738260 | 0.95 | DHODH (0.43) | DHODHKEAP1CA12CA1CA2 | |
| SCHEMBL28590290 | 0.82 | LMNA (0.36) | DHODHPTGDR2KMT2AMEN1NPC1 | |
| Nitrous Acid SCHEMBL28598619 | 0.71 | CA12 (0.46) | DHODHCA12NR4A2MAP4K4BCL2L1 | |
| SCHEMBL28597659 | 0.71 | ADORA2A (0.43) | KDM4EADORA2A | |
| SCHEMBL30721837 | 0.71 | ADORA2A (0.43) | KDM4EADORA2A | |
| SCHEMBL22180269 | 0.68 | CHUK (0.46) | KMT2AMEN1KDM4ERXFP1ADORA2A | |
| SCHEMBL25907130 | 0.66 | TDP1 (0.53) | DHODHBCL2L1BADNPC1RAB9A | |
| SCHEMBL2469146 | 0.65 | TDP1 (0.47) | DHODHMAP4K4PTGDR2BCL2L1BAD | |
| SCHEMBL2371580 | 0.65 | CFTR (0.64) | DHODHKEAP1KDM4EADORA2A | |
| SCHEMBL2565926 | 0.64 | HDAC6 (0.44) | BCL2L1BADKMT2AMEN1NPC1 |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-113166119-A | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-07-23 | — | — | CN | disclosed |