Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | CCR2 | P41597 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 2/20 | 0.46 |
| ▸ | CHUK | O15111 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18707547 | 0.81 | PTGS2 (0.60) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL28076295 | 0.81 | CCR2 (0.48) | PTGS2PTGS1CCR2 | |
| SCHEMBL28076293 | 0.79 | PTGS2 (0.54) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL28830601 | 0.77 | PTGS2 (0.55) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL28076116 | 0.74 | CCR2 (0.54) | CA2CA1CA12CA9CCR2 | |
| SCHEMBL23095485 | 0.74 | PTGS2 (0.51) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL7584026 | 0.73 | PTGS2 (0.50) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL6475078 | 0.73 | CA2 (0.86) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL6725783 | 0.73 | PTGS2 (1.00) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL6724339 | 0.72 | PTGS2 (0.79) | PTGS2PTGS1CA2CA1CA12 |
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 |