Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 8/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 8/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | GCG | P01275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076295 | 0.79 | CCR2 (0.48) | PTGS1PTGS2ALOX5APFEN1 | |
| SCHEMBL28076138 | 0.77 | PTGES2 (0.39) | PTGES2 | |
| SCHEMBL28076291 | 0.75 | CCR2 (0.51) | PTGS1PTGS2ALOX5APFEN1 | |
| SCHEMBL2774927 | 0.75 | CCR2 (0.50) | PTGES2 | |
| SCHEMBL28076115 | 0.75 | CA2 (0.45) | — | |
| SCHEMBL28076284 | 0.74 | PTGS2 (0.42) | PTGS1PTGS2 | |
| SCHEMBL28808565 | 0.70 | CCR2 (0.61) | — | |
| SCHEMBL28076366 | 0.69 | PTGDR2 (0.41) | PTGS1PTGS2PTGES2 | |
| SCHEMBL27786989 | 0.69 | PSEN1 (0.39) | — | |
| SCHEMBL6725974 | 0.68 | PTGS2 (0.63) | PTGS1PTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103380115-B | Sulfur derivatives as chemokine receptor modulators | 阿勒根公司 | 2016-08-24 | — | — | CN | claimed |
| CN-106220618-B | Sulfur derivatives as chemokine receptor modulators | 阿勒根公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-106220618-A | SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | 阿勒根公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-103380115-B | Sulfur derivatives as chemokine receptor modulators | 阿勒根公司 | 2016-08-24 | — | — | CN | disclosed |