Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | THRA | P10827 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | ALPG | P10696 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28534185 | 1.00 | MAPT (0.58) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL28538873 | 1.00 | MAPT (0.58) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL28534169 | 0.99 | MAPT (0.59) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL28547215 | 0.95 | ALDH1A1 (0.60) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL28544205 | 0.91 | MAPT (0.52) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL27533623 | 0.88 | ALDH1A1 (0.54) | MAPTLMNANPSR1ALDH1A1ALPG | |
| SCHEMBL28542514 | 0.86 | MAPT (0.59) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL28539551 | 0.86 | MAPT (0.59) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL28911092 | 0.86 | MAPT (0.59) | MAPTLMNANPSR1THRATHRB | |
| SCHEMBL28547234 | 0.85 | MAPT (0.60) | MAPTLMNANPSR1THRATHRB |
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-109721586-B | 5-benzyl-3-pyridyl-1H-1, 2, 4-triazole compound and preparation method and application thereof | 中国医科大学 | 2021-03-02 | — | — | CN | disclosed |