Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.62 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL223097 | 0.89 | SIGMAR1 (0.78) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Pyridine SCHEMBL28111068 | 0.83 | SIGMAR1 (0.62) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL15329091 | 0.82 | SIGMAR1 (0.67) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Pyridine SCHEMBL28099010 | 0.80 | SIGMAR1 (0.58) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Pyridine SCHEMBL28301244 | 0.79 | SIGMAR1 (0.79) | SIGMAR1ALDH1A1CCR2 | |
| SCHEMBL2489199 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL8188324 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL242970 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL576868 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL1415730 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB |
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-103130793-B | 3-(1-Arylpiperidine-4-base)-2-aryl thiazole quinoline-4-ketone compounds, Preparation Method And The Use | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-09-21 | — | — | CN | disclosed |