Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | QPCT | Q16769 | 3/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28803067 | 0.85 | QPCT (0.53) | ALDH1A1QPCTMAPTTSHRMEN1 | |
| SCHEMBL28802971 | 0.85 | TNIK (0.47) | ALDH1A1QPCTMAPTMEN1KMT2A | |
| SCHEMBL10833712 | 0.77 | ALDH1A1 (0.81) | ALDH1A1QPCTMAOBMAPTTSHR | |
| SCHEMBL29735936 | 0.75 | NPSR1 (0.37) | MAOBMEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL27412237 | 0.73 | MAPT (0.52) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| SCHEMBL25334713 | 0.72 | ALDH1A1 (1.00) | ALDH1A1QPCTMAOBMAPTTSHR | |
| SCHEMBL11019452 | 0.71 | POLB (0.53) | ALDH1A1MAPTGAAMEN1KMT2A | |
| SCHEMBL10508142 | 0.70 | MEN1 (0.69) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| SCHEMBL28803086 | 0.69 | QPCT (0.50) | ALDH1A1QPCTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25937066 | 0.69 | ALDH1A1 (0.68) | ALDH1A1QPCTMAOBMAPTTSHR |
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 |