Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 14/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CCR2 | P41597 | 3/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28076116 | 0.82 | CCR2 (0.54) | CA2CA1CA12CA9CCR2 | |
| SCHEMBL28076293 | 0.78 | PTGS2 (0.54) | CA2CA1CA12CA9MAOB | |
| SCHEMBL28076115 | 0.75 | CA2 (0.45) | CA2CA1CA12CA9CCR2 | |
| SCHEMBL28076284 | 0.75 | PTGS2 (0.42) | CCR2 | |
| SCHEMBL9933932 | 0.72 | CCR2 (0.69) | CCR2 | |
| SCHEMBL28076319 | 0.69 | CA1 (0.43) | CA2CA1CA12CA9 | |
| SCHEMBL28076275 | 0.67 | ALDH1A1 (0.41) | CA2CA1CA12CA9 | |
| SCHEMBL28076136 | 0.67 | CCR2 (0.37) | CA2CA1CA12CA9CCR2 | |
| SCHEMBL25893223 | 0.66 | CCR2 (0.35) | CCR2 | |
| SCHEMBL9932843 | 0.66 | CCR2 (0.70) | CCR2 |
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 |