Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.47 |
| ▸ | TSPO | P30536 | 1/20 | 0.46 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18763043 | 0.84 | GSTO1 (0.50) | CYP3A4HIF1AEPAS1SORT1NR1H3 | |
| SCHEMBL10985162 | 0.79 | CYP3A4 (0.67) | CYP3A4L3MBTL1TP53PDK1CHRNB2 | |
| SCHEMBL10992280 | 0.76 | CYP3A4 (0.60) | CYP3A4L3MBTL1TP53PDK1CHRNB2 | |
| SCHEMBL21168598 | 0.75 | CYP3A4 (0.46) | CYP3A4L3MBTL1TP53TSPOPDK1 | |
| SCHEMBL6733814 | 0.72 | GRM2 (0.62) | CYP3A4L3MBTL1TP53TSPOLMNA | |
| SCHEMBL19687731 | 0.72 | NR1H3 (0.41) | HIF1AEPAS1SORT1NR1H3NR1H2 | |
| SCHEMBL2187051 | 0.72 | KDM4E (0.61) | CYP3A4RIPK1CHRNB2CHRNA4LMNA | |
| SCHEMBL10560010 | 0.71 | GRM2 (0.57) | CYP3A4HDAC6 | |
| SCHEMBL7748094 | 0.71 | TBXAS1 (0.62) | CYP3A4L3MBTL1HDAC6TP53 | |
| SCHEMBL7748091 | 0.71 | TBXAS1 (0.62) | CYP3A4L3MBTL1HDAC6TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125751-A1 | DIA-BASED QUANTITATIVE CHEMICAL PROTEOMICS TARGET SCREENING METHOD | 北京大学 | 2023-07-06 | — | — | WO | disclosed |