Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL1829446 | 0.77 | CCR2 (0.42) | CCR2SLC6A2SLC6A4SLC6A3CHRNA1 | |
| SCHEMBL3223363 | 0.74 | CCR2 (0.49) | CCR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1779891 | 0.73 | CCR2 (0.43) | CCR2SLC6A2SLC6A4SLC6A3 | |
| Bicarbonate SCHEMBL14238261 | 0.70 | CCR2 (0.51) | CCR2SLC6A2SLC6A4SLC6A3CHRNA1 | |
| SCHEMBL1779892 | 0.68 | CCR2 (0.44) | CCR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28393036 | 0.64 | OPRM1 (0.43) | SLC6A2SLC6A4SLC6A3CHRM2CHRM4 | |
| Bicarbonate SCHEMBL14237133 | 0.61 | CCR2 (0.48) | CCR2SLC6A2SLC6A4SLC6A3CHRNA1 | |
| SCHEMBL17355866 | 0.58 | KMT2A (0.58) | — | |
| SCHEMBL1778995 | 0.57 | CCR2 (0.44) | CCR2SLC6A2SLC6A4SLC6A3CHRNA1 | |
| SCHEMBL11740660 | 0.57 | MEN1 (0.56) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010009068-A2 | CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-01-21 | — | — | WO | disclosed |