Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.42 |
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 | 0.94 | ALDH1A1 (0.53) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28376196 | 0.92 | ALDH1A1 (0.49) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28372117 | 0.91 | TP53 (0.50) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28371293 | 0.91 | ALDH1A1 (0.50) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28375282 | 0.91 | USP2 (0.50) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28371232 | 0.90 | NPSR1 (0.58) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28372113 | 0.90 | ALDH1A1 (0.52) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28375856 | 0.87 | CYP3A4 (0.52) | ALDH1A1NPSR1GAAHTTUSP2 | |
| SCHEMBL28375104 | 0.86 | ALDH1A1 (0.45) | ALDH1A1NPSR1GAAHPGDMAPT | |
| SCHEMBL28377410 | 0.85 | NPSR1 (0.57) | ALDH1A1NPSR1GAAHPGDMAPT |
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 |