Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 6/20 | 0.50 |
| ▸ | PTGES2 | Q9H7Z7 | 7/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | 0.81 | CCR2 (0.48) | CCR2PTGES2CA1CA2F10 | |
| SCHEMBL28076136 | 0.77 | CCR2 (0.37) | CCR2PTGES2CA1CA2F10 | |
| SCHEMBL28076291 | 0.76 | CCR2 (0.51) | CCR2 | |
| SCHEMBL28076138 | 0.75 | PTGES2 (0.39) | PTGES2CA1CA2F10CA12 | |
| SCHEMBL28830542 | 0.72 | CCR2 (0.47) | CCR2CA1CA2CA12CA9 | |
| SCHEMBL28830601 | 0.71 | PTGS2 (0.55) | CCR2CA1CA2CA12CA9 | |
| SCHEMBL28076289 | 0.70 | CCR2 (0.48) | CCR2CA1CA2CA12CA9 | |
| SCHEMBL6823501 | 0.69 | PTGES2 (0.47) | PTGES2CA1CA2CA12CA9 | |
| SCHEMBL610509 | 0.67 | CRHR1 (0.42) | CCR2PTGES2CA1CA2CRHR1 | |
| SCHEMBL9934413 | 0.67 | CCR2 (1.00) | CCR2PTGES2 |
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 |