Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetamide SCHEMBL27294990 | 1.00 | EPHX1 (0.33) | EPHX1GAATSHRSMN1; SMN2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL28657400 | 0.87 | GAA (0.32) | GAATSHRSMN1; SMN2HSD17B10 | |
| Urea SCHEMBL27294645 | 0.87 | EPHX1 (0.39) | EPHX1GAATSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL27783870 | 0.86 | EPHX1 (0.33) | EPHX1GAATSHRSMN1; SMN2HSD17B10 | |
| Acetamide SCHEMBL27277672 | 0.85 | EPHX1 (0.38) | EPHX1GAATSHR | |
| Acetamide SCHEMBL28175715 | 0.85 | EPHX1 (0.38) | EPHX1GAATSHR | |
| Oxalic Acid SCHEMBL28847398 | 0.79 | GAA (0.36) | EPHX1GAATSHRSMN1; SMN2HSD17B10 | |
| Acetic Acid SCHEMBL27395973 | 0.79 | GAA (0.36) | EPHX1GAATSHRSMN1; SMN2HSD17B10 | |
| Chloromethane SCHEMBL27283470 | 0.78 | — | — | |
| Hydrogen Peroxide SCHEMBL27484706 | 0.78 | GAA (0.32) | GAATSHR |
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-110373345-A | DEHP hydrolase and gene and its application in the degradation of phthalate plasticiser | 华东理工大学 | 2019-10-25 | — | — | CN | disclosed |
| CN-109799296-A | A kind of sample-pretreating method for the non-targeted metabonomic analysis of cell | 江南大学 | 2019-05-24 | — | — | CN | disclosed |