Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CCR6 | P51684 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28431693 | 0.83 | ALDH1A1 (0.60) | CYP3A4ALDH1A1L3MBTL1MAPTHTT | |
| SCHEMBL28895273 | 0.82 | ALDH1A1 (0.51) | CYP3A4CYP2C19ALDH1A1L3MBTL1MAPT | |
| SCHEMBL28430597 | 0.76 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1HTTKDM4ETSHR | |
| SCHEMBL28463390 | 0.72 | POLB (0.48) | CYP3A4CYP2C19ALDH1A1L3MBTL1NOTUM | |
| SCHEMBL28431691 | 0.71 | MAPT (0.51) | CYP2C19ALDH1A1L3MBTL1NOTUMMAPT | |
| SCHEMBL28433057 | 0.71 | ALDH1A1 (0.49) | CYP3A4CYP2C19ALDH1A1L3MBTL1MAPT | |
| SCHEMBL28428683 | 0.71 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4ETSHRLMNA | |
| SCHEMBL28428829 | 0.71 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1MAPTHTTKDM4E | |
| SCHEMBL28430189 | 0.71 | NOTUM (0.42) | ALDH1A1L3MBTL1NOTUMMAPTHTT | |
| SCHEMBL28438713 | 0.71 | ALDH1A1 (0.51) | CYP2C19ALDH1A1MAPTHTTKDM4E |
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-111057023-A | 1-aryl-tetrazole-5-nitrile and 2-aryl-tetrazole-5-nitrile and preparation method thereof | 天津大学 | 2020-04-24 | — | — | CN | disclosed |