Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CTSD | P07339 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GUSB | P08236 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28557880 | 0.84 | ALDH1A1 (0.52) | TSHRMAPK1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL28555682 | 0.82 | CFTR (0.53) | MAPK1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL28561737 | 0.80 | POLB (0.46) | MAPK1HSD17B10SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28566726 | 0.79 | CYP1A2 (0.45) | TSHRHSD17B10CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28552861 | 0.79 | SMN1; SMN2 (0.39) | MAPK1HSD17B10SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28566717 | 0.78 | KDM4E (0.51) | TSHRHSD17B10CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28550422 | 0.77 | KDM4E (0.46) | MAPK1SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL28554405 | 0.73 | KDM4E (0.45) | MAPK1SMN1; SMN2NPSR1MEN1KMT2A | |
| SCHEMBL31448422 | 0.68 | POLB (0.60) | TSHRCTSDCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28487104 | 0.68 | HRH1 (0.56) | MAPK1CYP2C9CYP2C19CYP1A2CYP2D6 |
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-108752325-B | Preparation method of 3-oxyalkyl quinoxaline-2 (1H) -ketone compound | 曲阜师范大学 | 2021-03-23 | — | — | CN | disclosed |