Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 11/20 | 1.00 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14237091 | 0.81 | CCR2 (1.00) | CCR2HCAR3HCAR2SLC6A4SLC6A3 | |
| SCHEMBL14237100 | 0.79 | CCR2 (1.00) | CCR2 | |
| Bicarbonate SCHEMBL14237193 | 0.73 | CCR2 (0.58) | CCR2HCAR3HCAR2OPRM1OPRL1 | |
| SCHEMBL1779949 | 0.72 | CCR2 (1.00) | CCR2 | |
| SCHEMBL3116411 | 0.70 | AKR1C3 (0.60) | CCR2OPRM1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL8747120 | 0.70 | AKR1C3 (0.60) | CCR2OPRM1OPRL1SLC6A4SLC6A3 | |
| SCHEMBL625406 | 0.69 | SLC6A4 (0.59) | CCR2HCAR3HCAR2OPRM1OPRL1 | |
| SCHEMBL696251 | 0.69 | AKR1C3 (0.67) | CCR2OPRM1OPRL1SLC6A4 | |
| SCHEMBL13733250 | 0.68 | HCAR3 (0.53) | CCR2HCAR3HCAR2OPRM1OPRL1 | |
| SCHEMBL10193786 | 0.68 | KDM1A (0.54) | CCR2HCAR3HCAR2OPRM1OPRL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507559-B2 | Cyclohexenyl modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-08-13 | — | — | US | claimed |
| EP-2318352-B1 | CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2012-12-19 | — | — | EP | claimed |
| EP-2318352-B1 | CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2012-12-19 | — | — | EP | disclosed |