Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 4/20 | 0.66 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL14237150 | 0.87 | CCR2 (0.63) | CCR2OPRM1OPRL1OPRD1OPRK1 | |
| Bicarbonate SCHEMBL14237203 | 0.87 | CCR2 (0.63) | CCR2OPRM1OPRL1OPRD1OPRK1 | |
| Bicarbonate SCHEMBL14237270 | 0.82 | CCR2 (0.48) | CCR2OPRM1OPRL1OPRD1OPRK1 | |
| Bicarbonate SCHEMBL14237192 | 0.81 | CCR2 (0.62) | CCR2OPRM1OPRL1OPRD1OPRK1 | |
| Bicarbonate SCHEMBL14237107 | 0.81 | CCR2 (0.62) | CCR2OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL1780892 | 0.80 | CCR2 (1.00) | CCR2 | |
| SCHEMBL1779411 | 0.76 | CCR2 (0.70) | CCR2OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL3233950 | 0.69 | CCR2 (0.82) | CCR2 | |
| SCHEMBL3229200 | 0.66 | CCR2 (0.73) | CCR2OPRM1OPRL1 | |
| SCHEMBL1780135 | 0.65 | CCR2 (1.00) | CCR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2318352-B1 | CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2012-12-19 | — | — | EP | claimed |