Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 7/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL24416785 | 0.88 | ERN1 (0.39) | ERN1CYP2A6PTPN1PTGDR2XDH | |
| SCHEMBL3633061 | 0.81 | XDH (0.51) | ERN1PTPN1XDHS100A4TGM2 | |
| SCHEMBL1647011 | 0.77 | XDH (0.46) | CYP2A6XDHALDH1A1 | |
| SCHEMBL1629842 | 0.76 | ALOX5AP (0.36) | GPR35S100A4 | |
| SCHEMBL10254523 | 0.76 | GPR35 (0.35) | GPR35S100A4 | |
| SCHEMBL203395 | 0.75 | ERN1 (0.61) | ERN1CYP2A6PTPN1PTGDR2PIM3 | |
| SCHEMBL2838019 | 0.72 | IDO1 (0.57) | GPR35TGM2CES1ALDH1A1 | |
| SCHEMBL30192181 | 0.72 | IDO1 (0.57) | GPR35TGM2CES1ALDH1A1 | |
| SCHEMBL24416831 | 0.72 | DYRK1A (0.33) | XDHALDH1A1 | |
| SCHEMBL24416917 | 0.72 | KCNJ1 (0.34) | ERN1PTPN1XDHALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022095965-A1 | TETRAZOLE DERIVATIVE, PREPARATION FOR TETRAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING TETRAZOLE DERIVATIVE, AND APPLICATION OF TETRAZOLE DERIVATIVE | 浙江大学 | 2022-05-12 | — | — | WO | disclosed |