Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.81 |
| ▸ | MAPT | P10636 | 4/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.81 |
| ▸ | MEN1 | O00255 | 1/20 | 0.81 |
| ▸ | HTT | P42858 | 1/20 | 0.81 |
| ▸ | MAOB | P27338 | 3/20 | 0.69 |
| ▸ | MAOA | P21397 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.65 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL1259295 | 0.98 | CYP1A2 (1.00) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL8167087 | 0.90 | CYP1A2 (0.85) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL16639672 | 0.83 | CYP1A2 (0.73) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL18031168 | 0.83 | CYP1A2 (0.73) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL7028772 | 0.82 | KMT2A (0.77) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL8956322 | 0.82 | ALDH1A1 (0.94) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL11683119 | 0.81 | SMN1; SMN2 (0.79) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL6578291 | 0.81 | ALDH1A1 (0.80) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL12177297 | 0.81 | HPGD (1.00) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A | |
| SCHEMBL1884695 | 0.81 | MAOB (0.73) | CYP1A2CYP2C19ALDH1A1MAPTKMT2A |
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-108541253-A | The method for producing 5 hydroxymethyl furfural in the presence of at least one aprotic polar solvent in the presence of lewis acid catalyst and/or multiphase base catalyst and homogeneous organic bronsted acid catalyst | IFP 新能源公司 | 2018-09-14 | — | — | CN | disclosed |