Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | NEK2 | P51955 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7550030 | 0.97 | CYP3A4 (0.47) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL16838887 | 0.82 | CHEK1 (0.45) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL5154389 | 0.81 | CYP3A4 (0.47) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL20886039 | 0.79 | CYP3A4 (0.45) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL7872085 | 0.76 | TSHR (0.35) | SMN1; SMN2TSHRALDH1A1GAAMAPT | |
| SCHEMBL113870 | 0.76 | CHEK1 (0.60) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL15268120 | 0.76 | CHEK1 (0.48) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL29707613 | 0.76 | CHEK1 (0.60) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL11238026 | 0.75 | CYP3A4 (0.53) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL21733241 | 0.74 | CYP3A4 (0.45) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 |
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-108014852-B | Catalyst for synthesizing methanol or precursor thereof, method for preparing catalyst, and method for producing methanol or precursor thereof using catalyst | 韩国科学技术研究院 | 2021-01-05 | — | — | CN | disclosed |