Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 5/20 | 0.36 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL493936 | 0.80 | KIF11 (0.45) | CNR1KCNH2KIF11S1PR1S1PR3 | |
| SCHEMBL30516078 | 0.76 | MAP4K4 (0.41) | CNR1KCNH2CA12CA9S1PR1 | |
| SCHEMBL6851712 | 0.73 | BRD4 (0.42) | PPARA | |
| SCHEMBL19836179 | 0.73 | S1PR1 (0.41) | CNR1KCNH2S1PR1S1PR3RXRA | |
| SCHEMBL30516067 | 0.73 | HDAC4 (0.34) | CNR1KCNH2S1PR1S1PR3MAP4K4 | |
| SCHEMBL1175073 | 0.71 | BRD4 (0.48) | CA12CA9PPARACA1CA2 | |
| SCHEMBL18002017 | 0.71 | MAPT (0.42) | KIF11CA1CA2 | |
| SCHEMBL29955861 | 0.71 | BRD4 (0.48) | CA12CA9PPARACA1CA2 | |
| SCHEMBL28601834 | 0.71 | PTGS2 (0.48) | S1PR1S1PR3CA1CA2CYP3A4 | |
| SCHEMBL24386409 | 0.70 | GPR119 (0.37) | CNR1KCNH2S1PR1S1PR3HDAC1 |
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 |