Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STIM1 | Q13586 | 1/20 | 0.50 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CRACR2A | Q9BSW2 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28398093 | 1.00 | STIM1 (0.50) | STIM1ORAI1TRPV1ALDH1A1CYP3A4 | |
| SCHEMBL28405257 | 0.90 | STIM1 (0.48) | STIM1ORAI1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL30153355 | 0.90 | STIM1 (0.48) | STIM1ORAI1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL28396543 | 0.89 | STIM1 (0.53) | STIM1ORAI1ALDH1A1RAB9A | |
| SCHEMBL30153360 | 0.89 | STIM1 (0.53) | STIM1ORAI1ALDH1A1RAB9A | |
| SCHEMBL28407309 | 0.87 | STIM1 (0.44) | STIM1ORAI1TRPV1ALDH1A1CYP3A4 | |
| SCHEMBL30153341 | 0.87 | STIM1 (0.44) | STIM1ORAI1TRPV1ALDH1A1CYP3A4 | |
| SCHEMBL28405278 | 0.87 | STIM1 (0.46) | STIM1ORAI1PTPN1BRAFFLT3 | |
| SCHEMBL30153384 | 0.87 | STIM1 (0.46) | STIM1ORAI1PTPN1BRAFFLT3 | |
| SCHEMBL31703953 | 0.86 | LRRK2 (0.43) | STIM1ORAI1TRPV1CRACR2APTPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111187215-B | Fluorine-containing pyrazole amide derivative, preparation method and application thereof | 西北农林科技大学 | 2023-02-24 | — | — | CN | disclosed |