Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 7/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | 0.82 | CCR2 (0.48) | CCR2PTGES2CA1CA2F10 | |
| SCHEMBL28076284 | 0.79 | PTGS2 (0.42) | CCR2PTGS1PTGS2 | |
| SCHEMBL28076361 | 0.77 | CCR2 (0.50) | CCR2PTGES2CA1CA2F10 | |
| SCHEMBL28076319 | 0.75 | CA1 (0.43) | PTGS1PTGS2CA1CA2CA12 | |
| SCHEMBL28076138 | 0.73 | PTGES2 (0.39) | PTGES2CA1CA2F10CA12 | |
| SCHEMBL28076293 | 0.73 | PTGS2 (0.54) | PTGS1PTGS2CA1CA2CA12 | |
| SCHEMBL28076275 | 0.73 | ALDH1A1 (0.41) | PTGS1PTGS2CA1CA2CA12 | |
| SCHEMBL9935336 | 0.68 | CCR2 (0.70) | CCR2PTGES2ALDH1A1 | |
| SCHEMBL8448097 | 0.66 | CA2 (0.47) | CA1CA2CA12CA9 | |
| SCHEMBL28779476 | 0.66 | CYP2A6 (0.39) | LMNANPC1 |
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 |