Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 11/20 | 0.40 |
| ▸ | KIT | P10721 | 10/20 | 0.40 |
| ▸ | KDR | P35968 | 10/20 | 0.40 |
| ▸ | PLK4 | O00444 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
| ▸ | CSF1R | P07333 | 3/20 | 0.39 |
| ▸ | PRKACA | P17612 | 3/20 | 0.39 |
| ▸ | FLT1 | P17948 | 3/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.39 |
| ▸ | MARK3 | P27448 | 3/20 | 0.39 |
| ▸ | FLT4 | P35916 | 3/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Methyl Benzoate SCHEMBL31029245 | 0.88 | FLT3 (0.43) | KDM4ESTAT3HIF1AFLT3KIT | |
| SCHEMBL29967890 | 0.86 | ACMSD (0.42) | PTGS2FLT3KITKDRPLK4 | |
| SCHEMBL31029238 | 0.85 | KDR (0.41) | FLT3KITKDRPLK4AURKA | |
| SCHEMBL29968026 | 0.82 | ABL1 (0.47) | FLT3KITKDRPLK4AURKA | |
| SCHEMBL14333218 | 0.80 | KDR (0.58) | KDM4ESTAT3HIF1AFLT3KIT | |
| SCHEMBL29967799 | 0.79 | KDR (0.41) | PTGS2FLT3KITKDRPLK4 | |
| SCHEMBL29967563 | 0.78 | KDR (0.48) | FLT3KITKDRPLK4AURKA | |
| SCHEMBL29967964 | 0.78 | KDR (0.44) | FLT3KITKDRPLK4AURKA | |
| SCHEMBL14333721 | 0.77 | KDM4E (0.48) | KDM4ESTAT3HIF1AFLT3KIT | |
| SCHEMBL29967841 | 0.77 | KDR (0.40) | PTGS2FLT3KITKDRPLK4 |
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 |