Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R38 | P59533 | 1/20 | 0.60 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14511451 | 0.87 | TAS2R38 (0.75) | TAS2R38ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL21985779 | 0.81 | TAS2R38 (0.60) | TAS2R38IDO1ALDH1A1GAAMAPT | |
| SCHEMBL5518697 | 0.81 | IDO1 (0.63) | TAS2R38IDO1SIGMAR1ALDH1A1GAA | |
| SCHEMBL14872243 | 0.78 | TAS2R38 (0.62) | TAS2R38ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL863133 | 0.78 | TAS2R38 (0.62) | TAS2R38ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL23752222 | 0.78 | IDO1 (0.59) | TAS2R38IDO1SIGMAR1GPR174ALDH1A1 | |
| SCHEMBL8705118 | 0.78 | GAA (0.65) | TAS2R38IDO1ALDH1A1GAAMAPT | |
| SCHEMBL13201378 | 0.77 | IDO1 (0.64) | IDO1GPR174ALDH1A1GAAMAPT | |
| SCHEMBL11718858 | 0.76 | SMN1; SMN2 (0.67) | TAS2R38ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL11738124 | 0.76 | MEN1 (0.62) | TAS2R38IDO1ALDH1A1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-109796387-A | The preparation method of thio trifluoroacetyl amine compounds | 温州大学 | 2019-05-24 | — | — | CN | disclosed |