Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 15/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | HCK | P08631 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL29936178 | 0.78 | PDE4A (0.37) | EGFRKDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL17665817 | 0.78 | LIMK1 (0.41) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL25167004 | 0.74 | DHFR (0.42) | — | |
| SCHEMBL30770136 | 0.74 | TDP2 (0.45) | MAP4K4PI4KBTDP2NSD2PAX8 | |
| SCHEMBL30097809 | 0.74 | TDP2 (0.45) | MAP4K4PI4KBTDP2NSD2PAX8 | |
| SCHEMBL18312022 | 0.73 | PI4KA (0.48) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29129392 | 0.70 | CSNK2A1 (0.38) | MAP4K4MINK1TNIKEPHB4 | |
| SCHEMBL31728512 | 0.70 | MAP4K4 (0.37) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2124702 | 0.69 | PI4KA (0.48) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL18420628 | 0.67 | CCNB2 (0.33) | — |
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-117500803-A | Amino-substituted heterocycles for the treatment of cancers with EGFR mutations | 纽威伦特公司 | 2024-02-02 | — | — | CN | disclosed |