Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | BRD2 | P25440 | 2/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30516097 | 0.85 | MKNK1 (0.47) | MKNK2MKNK1XDHPPARAKMO | |
| SCHEMBL30516103 | 0.83 | ATM (0.51) | CYP11B2CYP11B1S1PR1CYP2A6 | |
| SCHEMBL31364815 | 0.76 | MKNK2 (0.54) | MKNK2MKNK1CYP11B2CYP11B1CYP1A2 | |
| SCHEMBL29045118 | 0.74 | CCNC (0.48) | MKNK2MKNK1CYP11B2BRD4 | |
| SCHEMBL29045049 | 0.72 | PPARA (0.40) | PPARAKMO | |
| SCHEMBL30516056 | 0.72 | PPARA (0.40) | PPARAKMO | |
| SCHEMBL24921196 | 0.72 | CYP1A1 (0.46) | MKNK2MKNK1CYP11B2CYP11B1CYP1A2 | |
| SCHEMBL3500223 | 0.72 | MKNK1 (0.55) | MKNK2MKNK1CYP11B2CYP11B1CYP1A2 | |
| Hydrochloric Acid SCHEMBL30516112 | 0.71 | PPARA (0.39) | PPARAKMO | |
| SCHEMBL4760887 | 0.70 | PPARA (0.48) | MKNK2MKNK1CYP11B2CYP11B1PPARA |
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-116514790-A | Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof | 华东师范大学 | 2023-08-01 | — | — | CN | claimed |
| CN-116514790-A | Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof | 华东师范大学 | 2023-08-01 | — | — | CN | disclosed |