Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.44 |
| ▸ | FLT3 | P36888 | 5/20 | 0.41 |
| ▸ | KDR | P35968 | 4/20 | 0.41 |
| ▸ | KIT | P10721 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 4/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | PLK4 | O00444 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 3/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | PRKACA | P17612 | 3/20 | 0.40 |
| ▸ | FLT1 | P17948 | 3/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | MARK3 | P27448 | 3/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871288 | 0.92 | NR1H4 (0.46) | NR1H4FLT3KDRKITFLT4 | |
| SCHEMBL28957360 | 0.88 | NR1H4 (0.53) | NR1H4FLT3KDRKITFLT4 | |
| SCHEMBL29968183 | 0.88 | NR1H4 (0.53) | NR1H4FLT3KDRKITFLT4 | |
| SCHEMBL28871276 | 0.86 | NR1H4 (0.41) | NR1H4FLT3KDRKITFLT4 | |
| SCHEMBL28871209 | 0.86 | KDR (0.41) | FLT3KDRKITPPARGFLT4 | |
| SCHEMBL29968276 | 0.86 | KDR (0.41) | FLT3KDRKITPPARGFLT4 | |
| SCHEMBL28871261 | 0.84 | ABL1 (0.43) | NR1H4FLT3KDRKITFLT4 | |
| SCHEMBL28871272 | 0.84 | NR1H4 (0.48) | NR1H4FLT3KITMAPK8ABL1 | |
| SCHEMBL29968242 | 0.84 | NR1H4 (0.48) | NR1H4FLT3KITMAPK8ABL1 | |
| SCHEMBL28871285 | 0.84 | MAPK8 (0.43) | FLT3KDRKITFLT4GSK3B |
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 |