Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
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 | 1.00 | VCP (0.51) | VCPMEN1KMT2AMAPTPOLB | |
| SCHEMBL28499562 | 0.93 | VCP (0.60) | VCPMEN1KMT2AMAPTPOLB | |
| SCHEMBL28501871 | 0.87 | APP (0.44) | VCPMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28905221 | 0.83 | PYCR1 (0.36) | VCPMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28516989 | 0.83 | KMT2A (0.40) | VCPMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28509386 | 0.83 | APP (0.39) | VCPKMT2ANPC1RAB9ANPSR1 | |
| SCHEMBL28649093 | 0.82 | GRM5 (0.41) | VCPMAPTPOLBALDH1A1NPSR1 | |
| SCHEMBL28514741 | 0.82 | GRM5 (0.41) | VCPMAPTPOLBALDH1A1NPSR1 | |
| SCHEMBL28509399 | 0.82 | VCP (0.44) | VCPMEN1KMT2AMAPTPOLB | |
| SCHEMBL28505750 | 0.82 | RARB (0.49) | VCPMEN1KMT2AMAPTPOLB |
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 |