Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | PRKX | P51817 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24210852 | 1.00 | NOS1 (0.37) | NOS1HAO1MAPTPLK4CHEK1 | |
| SCHEMBL23043223 | 0.74 | ALK (0.30) | ALK | |
| SCHEMBL31690850 | 0.74 | NOS1 (0.46) | NOS1HAO1MAPTPLK4CHEK1 | |
| SCHEMBL23043430 | 0.72 | — | — | |
| SCHEMBL29317050 | 0.72 | NOS1 (0.51) | NOS1MAPTPLK4CHEK1AURKA | |
| SCHEMBL30392633 | 0.72 | RET (0.32) | RETPDGFRAKDRFLT3CDK5 | |
| SCHEMBL26100624 | 0.72 | RET (0.32) | RETPDGFRAKDRFLT3CDK5 | |
| SCHEMBL24210724 | 0.71 | HDAC1 (0.41) | NOS1MAPTPLK4CHEK1AURKA | |
| SCHEMBL31161854 | 0.69 | RET (0.32) | RETPDGFRAKDRFLT3CDK5 | |
| SCHEMBL8526099 | 0.68 | CYP1A2 (0.41) | MAPTKDM4EMEN1CYP1A2CYP3A4 |
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-113929693-B | Nitrogen-containing heterocyclic compound, pharmaceutical composition and application | 广州费米子科技有限责任公司 | 2023-05-09 | — | — | CN | disclosed |