Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.54 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.54 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30849356 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPTTHRBHTTLMNA | |
| SCHEMBL29207135 | 0.88 | MAPT (0.55) | ALDH1A1MAPTTHRBHTTLMNA | |
| SCHEMBL30849349 | 0.88 | MAPT (0.55) | ALDH1A1MAPTTHRBHTTLMNA | |
| SCHEMBL30849357 | 0.87 | MAPT (0.49) | ALDH1A1MAPTLMNAHPGDMAOB | |
| SCHEMBL29207165 | 0.87 | MAPT (0.49) | ALDH1A1MAPTLMNAHPGDMAOB | |
| SCHEMBL29207119 | 0.81 | KDM4E (0.51) | ALDH1A1MAPTHTTLMNAHPGD | |
| SCHEMBL29207123 | 0.81 | GPR174 (0.46) | ALDH1A1MAPTTHRBHTTLMNA | |
| SCHEMBL30849350 | 0.81 | GPR174 (0.46) | ALDH1A1MAPTTHRBHTTLMNA | |
| SCHEMBL29207126 | 0.81 | MAPKAPK2 (0.46) | ALDH1A1MAPTLMNAHPGDMAOB | |
| SCHEMBL30849354 | 0.81 | MAPKAPK2 (0.46) | ALDH1A1MAPTLMNAHPGDMAOB |
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-117800916-A | Preparation and application of 1- [ (1H-indazol-7-yl) methyl ] -3-arylthiourea derivative | 沈阳药科大学 | 2024-04-02 | — | — | CN | disclosed |