Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL28399295 | 0.91 | RIPK1 (0.33) | ALDH1A1USP7RIPK1SCN9AMGLL | |
| SCHEMBL28398241 | 0.84 | — | — | |
| SCHEMBL28398492 | 0.82 | BCAT1 (0.38) | ALDH1A1 | |
| SCHEMBL28396598 | 0.80 | PTGS2 (0.46) | ALDH1A1PTGS2SMN1; SMN2 | |
| SCHEMBL28400108 | 0.80 | KMT2A (0.39) | MGLLPTGS2 | |
| SCHEMBL28395385 | 0.75 | RECQL (0.35) | ALDH1A1PTGS2SMN1; SMN2 | |
| SCHEMBL28398223 | 0.75 | MAPK14 (0.38) | ALDH1A1NPSR1PTGS2SMN1; SMN2 | |
| SCHEMBL28392425 | 0.75 | MAPT (0.37) | ALDH1A1PTGS2SMN1; SMN2 | |
| SCHEMBL28405837 | 0.75 | RPA1 (0.35) | MGLLCNR1CNR2SMN1; SMN2 | |
| SCHEMBL28392586 | 0.74 | ALDH1A1 (0.45) | ALDH1A1USP7SMN1; SMN2 |
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-108203450-B | Preparation method and application of amino phosphonate containing arylpyrazole compound | 南京工业大学 | 2020-05-19 | — | — | CN | disclosed |