Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728636 | 1.00 | MCL1 (0.36) | MCL1ACMSDCYP1A2NSD2OPRM1 | |
| SCHEMBL29514531 | 0.79 | HTR7 (0.40) | POLBBRD4HSD17B10MAPTHTR1A | |
| SCHEMBL17573430 | 0.77 | MAPT (0.49) | CYP1A2CYP2C19HSD17B10MEN1MAPT | |
| SCHEMBL1893653 | 0.75 | HSD17B10 (0.41) | CYP1A2CYP2C9CYP2C19HSD17B10MAPT | |
| SCHEMBL30772437 | 0.75 | CYP1A2 (0.56) | MCL1ACMSDCYP1A2NSD2OPRM1 | |
| SCHEMBL27474022 | 0.73 | NSD2 (0.38) | MCL1ACMSDCYP1A2NSD2OPRM1 | |
| SCHEMBL14233032 | 0.72 | BCL2L1 (0.46) | MCL1ACMSDCYP1A2NSD2OPRM1 | |
| SCHEMBL214870 | 0.71 | NSD2 (0.54) | MCL1ACMSDCYP1A2NSD2OPRM1 | |
| SCHEMBL29360295 | 0.71 | NSD2 (0.54) | MCL1ACMSDCYP1A2NSD2OPRM1 | |
| SCHEMBL3420267 | 0.71 | HPRT1 (0.48) | CYP1A2CYP2C9CYP2C19USP2HSD17B10 |
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-114471496-A | Preparation method and application of multi-mode and multifunctional molecular cage high performance liquid chromatography stationary phase | 济宁医学院 | 2022-05-13 | — | — | CN | disclosed |