Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | EDNRB | P24530 | 2/20 | 0.34 |
| ▸ | EDNRA | P25101 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1783197 | 0.88 | CCR2 (0.46) | CCR2SLC6A2SLC6A4SLC6A3BRD4 | |
| SCHEMBL3220089 | 0.79 | CCR2 (0.49) | CCR2SLC6A2SLC6A4SLC6A3CHRNA1 | |
| SCHEMBL3228713 | 0.79 | CCR2 (0.49) | CCR2SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL3237823 | 0.75 | CCR2 (0.50) | CCR2SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL1780501 | 0.70 | CCR2 (0.47) | CCR2SLC6A2SLC6A4SLC6A3OPRM1 | |
| Bicarbonate SCHEMBL14237231 | 0.67 | CCR2 (0.58) | CCR2SLC6A2SLC6A4SLC6A3CHRNA1 | |
| SCHEMBL1780947 | 0.67 | CCR2 (1.00) | CCR2 | |
| SCHEMBL1780502 | 0.65 | CCR2 (0.50) | CCR2SLC6A2SLC6A4SLC6A3HSD11B1 | |
| SCHEMBL1779888 | 0.64 | MEN1 (0.37) | CCR2 | |
| SCHEMBL23356985 | 0.60 | LMNA (0.49) | CCR2HSD11B1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2318352-A2 | CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010009068-A2 | CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-01-21 | — | — | WO | disclosed |