Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.52 |
| ▸ | P2RY14 | Q15391 | 5/20 | 0.51 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.49 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28401432 | 0.90 | GRM5 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28399448 | 0.89 | STIM1 (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29047671 | 0.89 | RXFP1 (0.59) | P2RY14RAB9ASMN1; SMN2GAANPC1 | |
| SCHEMBL28400066 | 0.88 | ORAI1 (0.62) | P2RY14STIM1ORAI1RAB9ASMN1; SMN2 | |
| SCHEMBL28407306 | 0.87 | POLB (0.52) | STIM1ORAI1RAB9AGAANPC1 | |
| SCHEMBL28401527 | 0.86 | CRACR2A (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28889606 | 0.85 | ALDH1A1 (0.53) | STIM1ORAI1RAB9ASMN1; SMN2GAA | |
| SCHEMBL28393670 | 0.85 | KCNK3 (0.56) | HDAC8HDAC6RAB9ASMN1; SMN2GAA | |
| SCHEMBL30153256 | 0.85 | KCNK3 (0.56) | HDAC8HDAC6RAB9ASMN1; SMN2GAA | |
| SCHEMBL30153261 | 0.84 | STIM1 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-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 |
| CN-111187215-A | Fluorine-containing pyrazole amide derivative, preparation method and application thereof | 西北农林科技大学 | 2020-05-22 | — | — | CN | disclosed |