Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30114847 | 1.00 | VCP (0.68) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL5593353 | 0.90 | VCP (0.63) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL31614569 | 0.90 | VCP (0.68) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL5592873 | 0.90 | VCP (0.68) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL9124703 | 0.88 | HSP90AA1 (0.69) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL978641 | 0.82 | VCP (0.75) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL16582689 | 0.81 | VCP (0.86) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL15827958 | 0.81 | VCP (1.00) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL17348262 | 0.80 | HSP90AA1 (0.60) | VCPNPSR1MAPTMEN1KMT2A | |
| SCHEMBL5593355 | 0.80 | VCP (0.73) | VCPNPSR1MAPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115677739-A | Preparation method of O, O-boron difluoride complex | 华南理工大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-109810147-B | Pyrene-labeled benzimidazole nitrogen heterocyclic carbene palladium metal complex, and preparation and application thereof | 中国科学院兰州化学物理研究所 | 2021-02-26 | — | — | CN | disclosed |
| WO-2007074238-A2 | NOVEL N-ALK-(E)-YLIDENE-N'-PYRIMIDIN-2-YL HYDRAZINE DERIVATIVES AND USE THEREOF AS CYTOPROTECTIVE DRUGS | TROPHOS (FR) | 2007-07-05 | — | — | WO | disclosed |