Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | AXIN2 | Q9Y2T1 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28372118 | 0.95 | ALDH1A1 (0.53) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28376196 | 0.93 | ALDH1A1 (0.49) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28376406 | 0.91 | ALDH1A1 (0.48) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28375282 | 0.91 | USP2 (0.50) | TP53SMN1; SMN2NPSR1USP2HTT | |
| SCHEMBL28371293 | 0.91 | ALDH1A1 (0.50) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28371232 | 0.91 | NPSR1 (0.58) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28886198 | 0.89 | ALDH1A1 (0.53) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28372115 | 0.87 | SMN1; SMN2 (0.55) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28377410 | 0.86 | NPSR1 (0.57) | TP53SMN1; SMN2NPSR1USP2LMNA | |
| SCHEMBL28371152 | 0.86 | NPSR1 (0.48) | TP53SMN1; SMN2NPSR1USP2LMNA |
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-104910082-B | 3,4, 5-trisubstituted-1, 2, 4-triazole thioether derivative and synthesis method and application thereof | 贵阳学院 | 2020-03-17 | — | — | CN | disclosed |