Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL28802990 | 0.87 | L3MBTL1 (0.44) | QPCTL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1775043 | 0.77 | CYP1A2 (0.79) | QPCTL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14255017 | 0.72 | TBXAS1 (0.66) | QPCTALDH1A1CYP3A4KDM4EMEN1 | |
| SCHEMBL14255015 | 0.72 | TBXAS1 (0.66) | QPCTALDH1A1CYP3A4KDM4EMEN1 | |
| SCHEMBL28802971 | 0.72 | TNIK (0.47) | QPCTL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7313601 | 0.71 | ALDH1A1 (0.67) | QPCTALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL28803051 | 0.71 | CYP19A1 (0.49) | MEN1KMT2ATBXAS1 | |
| SCHEMBL28946577 | 0.70 | TBXAS1 (0.46) | ALDH1A1KDM4EMEN1KMT2ATBXAS1 | |
| SCHEMBL28803096 | 0.69 | ALDH1A1 (0.56) | QPCTALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27285135 | 0.69 | NPC1 (0.60) | QPCTCYP1A2CYP3A4CYP2D6NPC1 |
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-114805334-B | QC and GSK-3 beta multi-targeting inhibitor and preparation method and application thereof | 深圳大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-114805334-A | QC and GSK-3 beta multi-target inhibitor and preparation method and application thereof | 深圳大学 | 2022-07-29 | — | — | CN | disclosed |