Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | FLT3 | P36888 | 3/20 | 0.36 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 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 | |
|---|---|---|---|---|
| SCHEMBL421224 | 0.84 | KDR (0.41) | NR1H2KDRFLT3MAP2K4SMARCA2 | |
| SCHEMBL29967811 | 0.82 | MAP2K4 (0.44) | NR1H2KDRFLT3MAP2K4SMARCA2 | |
| SCHEMBL28871230 | 0.82 | MAP2K4 (0.44) | NR1H2KDRFLT3MAP2K4SMARCA2 | |
| SCHEMBL29967987 | 0.80 | MEN1 (0.37) | KDRFLT3HDAC1HDAC2HDAC3 | |
| SCHEMBL29967807 | 0.75 | KDR (0.50) | KDRFLT3HDAC1HDAC2HDAC3 | |
| SCHEMBL186237 | 0.72 | MAP2K4 (0.41) | NR1H2MAP2K4SMARCA2SMARCA4PBRM1 | |
| SCHEMBL185524 | 0.70 | MAP2K4 (0.39) | NR1H2MAP2K4SMARCA2SMARCA4PBRM1 | |
| SCHEMBL3668968 | 0.70 | MAP2K4 (0.44) | NR1H2MAP2K4SMARCA2SMARCA4PBRM1 | |
| SCHEMBL31319772 | 0.69 | KDR (0.57) | KDRFLT1 | |
| SCHEMBL1347906 | 0.68 | KDR (0.59) | KDRFLT3LCKCSF1RKIT |
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-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |