Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 15/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076140 | 0.77 | CCR2 (0.48) | PTGES2CA1CA2F10NPC1 | |
| SCHEMBL28076294 | 0.77 | PTGS1 (0.39) | PTGES2 | |
| SCHEMBL28076361 | 0.75 | CCR2 (0.50) | PTGES2CA1CA2F10CA12 | |
| SCHEMBL28076136 | 0.73 | CCR2 (0.37) | PTGES2CA1CA2F10CA12 | |
| SCHEMBL28076366 | 0.72 | PTGDR2 (0.41) | PTGES2CA1CA2CA12CA9 | |
| SCHEMBL5300982 | 0.71 | PTGS2 (0.43) | PTGES2CA1CA2F10 | |
| SCHEMBL27943751 | 0.69 | CCR2 (0.63) | PTGES2 | |
| SCHEMBL610509 | 0.66 | CRHR1 (0.42) | PTGES2CA1CA2CA9HPGD | |
| SCHEMBL8656122 | 0.66 | F10 (0.41) | PTGES2CA1CA2F10 | |
| SCHEMBL1647074 | 0.65 | PTGES2 (0.66) | PTGES2CA1CA2CA12CA9 |
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 |