Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 2/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL3518155 | 0.74 | KDM4E (0.42) | CYP17A1GAAKDM4ETDP1L3MBTL1 | |
| SCHEMBL31521754 | 0.73 | GAA (0.42) | CYP17A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL31521740 | 0.71 | MAPK1 (0.42) | CYP17A1GAAKDM4EL3MBTL1RORC | |
| SCHEMBL29092827 | 0.69 | MAP2K1 (0.46) | MAPTAXLNR4A2KMT2AKDM4E | |
| SCHEMBL30556715 | 0.69 | MAP2K1 (0.46) | MAPTAXLNR4A2KMT2AKDM4E | |
| SCHEMBL30556734 | 0.68 | ABL1 (0.42) | MAPTKDRAXLKMT2AKDM4E | |
| SCHEMBL29093339 | 0.68 | ABL1 (0.42) | MAPTKDRAXLKMT2AKDM4E | |
| SCHEMBL29092645 | 0.68 | MAP2K1 (0.41) | MAPTAXLKMT2AKDM4EMEN1 | |
| SCHEMBL29092953 | 0.68 | DHODH (0.49) | KMT2AKDM4EMEN1TDP1 | |
| SCHEMBL22791669 | 0.66 | ALDH1A1 (0.43) | MAPTGAAKDM4EL3MBTL1CYP46A1 |
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-109956929-B | Heterocyclic derivative, preparation method, pharmaceutical composition and application thereof | 上海迪诺医药科技有限公司 | 2023-09-19 | — | — | CN | disclosed |