Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPRG | P23470 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | FAAH | O00519 | 6/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3357562 | 1.00 | TRPA1 (0.39) | TRPA1ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL3373171 | 0.79 | SNCA (0.36) | TRPA1ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL7657078 | 0.79 | TDP1 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29290801 | 0.77 | TRPA1 (0.35) | TRPA1ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL377446 | 0.77 | CYP1A2 (0.41) | TRPA1ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL507688 | 0.77 | CYP4F2 (0.40) | TRPA1ALDH1A1TSHRCYP2D6CYP4F2 | |
| SCHEMBL308275 | 0.77 | ALDH1A1 (0.39) | TRPA1ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL29427134 | 0.77 | ALDH1A1 (0.39) | TRPA1ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL4497180 | 0.77 | SNCA (0.44) | TRPA1ALDH1A1TSHRCYP2D6KDM4E | |
| SCHEMBL29783216 | 0.77 | HPGD (0.39) | TRPA1ALDH1A1TSHRCYP1A2CYP2D6 |
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 1 patent. 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 | disclosed |