Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644592 | 0.87 | VCP (0.51) | VCPNPSR1ALDH1A1MAPTMEN1 | |
| SCHEMBL28509386 | 0.87 | APP (0.39) | APPVCPNPSR1KMT2ASMN1; SMN2 | |
| SCHEMBL28499562 | 0.87 | VCP (0.60) | APPVCPNPSR1HSP90AA1ALDH1A1 | |
| SCHEMBL28501872 | 0.87 | VCP (0.51) | VCPNPSR1ALDH1A1MAPTMEN1 | |
| SCHEMBL28503148 | 0.87 | MEN1 (0.47) | APPVCPNPSR1CYP3A4HSP90AA1 | |
| SCHEMBL28905221 | 0.87 | PYCR1 (0.36) | APPVCPNPSR1CYP2C19CYP1A2 | |
| SCHEMBL28513256 | 0.87 | VCP (0.40) | APPVCPNPSR1CYP2C19CYP1A2 | |
| SCHEMBL28516989 | 0.87 | KMT2A (0.40) | VCPNPSR1ALDH1A1MAPTMEN1 | |
| SCHEMBL28509926 | 0.87 | VCP (0.40) | APPVCPNPSR1CYP2C19CYP1A2 | |
| SCHEMBL28502052 | 0.84 | CYP2A6 (0.47) | APPCYP2C19CYP1A2CYP3A4CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112062735-B | Synthesis method of isoselenazole derivative | 温州大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-112159364-B | Synthetic method of isothiazole derivative | 温州大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-112159364-A | Synthetic method of isothiazole derivative | 温州大学 | 2021-01-01 | — | — | CN | disclosed |
| CN-112062735-A | Synthesis method of isoselenazole derivative | 温州大学 | 2020-12-11 | — | — | CN | disclosed |