Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.51 |
| ▸ | CHKA | P35790 | 5/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26604323 | 0.87 | SMO (0.57) | SMOCHKAKDM4EALDH1A1HPGD | |
| SCHEMBL4252955 | 0.85 | SMO (0.64) | SMOHSD17B10KMT2A | |
| SCHEMBL28664345 | 0.82 | SMO (0.55) | SMOCHKAGSK3BMAPK13RAF1 | |
| SCHEMBL28669024 | 0.81 | SMO (0.54) | SMOCHKAMAPK13MAPK12MAPK11 | |
| SCHEMBL4409064 | 0.81 | SMO (0.54) | SMOCHKAKDM4EALDH1A1HPGD | |
| SCHEMBL28673270 | 0.81 | SMO (0.54) | SMOCHKAMAPK13MAPK12MAPK11 | |
| SCHEMBL1002526 | 0.78 | MAPK13 (0.52) | GSK3BMAPK13RAF1MAPK12MAPK11 | |
| SCHEMBL4258094 | 0.78 | SMO (0.61) | SMOALDH1A1HPGDTSHR | |
| SCHEMBL28676292 | 0.78 | ALDH1A1 (0.55) | SMOCHKAADORA1KDM4EALDH1A1 | |
| SCHEMBL28664350 | 0.78 | SMO (0.51) | SMOCHKAKDM4EALDH1A1HPGD |
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-113717121-A | Preparation method of 5-fluoroalkyl substituted oxazole compound | 南开大学 | 2021-11-30 | — | — | CN | disclosed |