Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | CHUK | O15111 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076319 | 0.84 | CA1 (0.43) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL28076284 | 0.82 | PTGS2 (0.42) | PTGS2PTGS1 | |
| SCHEMBL28076275 | 0.82 | ALDH1A1 (0.41) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL28076150 | 0.79 | PTGS2 (0.57) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL18707547 | 0.78 | PTGS2 (0.60) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL25893223 | 0.78 | CCR2 (0.35) | PTGS2 | |
| SCHEMBL28076323 | 0.78 | CA2 (0.45) | CA12CA2CA9CA1MAOB | |
| SCHEMBL28830601 | 0.75 | PTGS2 (0.55) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL28076136 | 0.73 | CCR2 (0.37) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL23095485 | 0.71 | PTGS2 (0.51) | PTGS2PTGS1CA12CA2CA9 |
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 |