Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA9 | Q16790 | 6/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076289 | 0.75 | CCR2 (0.48) | PTGDR2CA1CA2CA9CA12 | |
| SCHEMBL17088276 | 0.74 | CA2 (0.43) | CA1CA2CA9CA12CA3 | |
| SCHEMBL28076275 | 0.74 | ALDH1A1 (0.41) | PTGDR2CA1CA2CA9CA12 | |
| SCHEMBL28076138 | 0.72 | PTGES2 (0.39) | CA1CA2CA9CA12PTGES2 | |
| SCHEMBL28076294 | 0.69 | PTGS1 (0.39) | PTGES2PTGS1PTGS2 | |
| SCHEMBL14371651 | 0.68 | PTGDR2 (0.66) | PTGDR2ALDH1A1 | |
| SCHEMBL4073850 | 0.68 | CA1 (0.66) | CA1CA2CA9CA12CA3 | |
| SCHEMBL18023392 | 0.68 | CA2 (0.45) | CA1CA2CA9CA12CA3 | |
| SCHEMBL23599033 | 0.67 | CA2 (0.53) | CA1CA2CA9CA12CA3 | |
| SCHEMBL18707547 | 0.67 | PTGS2 (0.60) | CA1CA2CA9CA12CA3 |
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 |