Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 11/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3235269 | 0.90 | CCR2 (0.40) | CCR2 | |
| SCHEMBL1778995 | 0.86 | CCR2 (0.44) | CCR2SLC6A3SLC6A2SLC6A4CHRNA1 | |
| SCHEMBL3228713 | 0.82 | CCR2 (0.49) | CCR2SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL1833463 | 0.79 | CCR2 (0.50) | CCR2SLC6A3SLC6A2SLC6A4CHRNA1 | |
| SCHEMBL1779888 | 0.77 | MEN1 (0.37) | CCR2 | |
| SCHEMBL1782138 | 0.72 | CCR2 (0.49) | CCR2SLC6A3SLC6A2SLC6A4CHRNA1 | |
| Bicarbonate SCHEMBL14238261 | 0.71 | CCR2 (0.51) | CCR2SLC6A3SLC6A2SLC6A4CHRNA1 | |
| SCHEMBL1782801 | 0.69 | CCR2 (0.62) | CCR2SLC6A3SLC6A2SLC6A4CHRNA1 | |
| Bicarbonate SCHEMBL14237133 | 0.68 | CCR2 (0.48) | CCR2SLC6A3SLC6A2SLC6A4CHRNA1 | |
| SCHEMBL1783197 | 0.68 | CCR2 (0.46) | CCR2SLC6A3SLC6A2SLC6A4CYP3A4 |
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 | disclosed |
| EP-2318352-B1 | CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2010009068-A2 | CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-01-21 | — | — | WO | disclosed |