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 | |
|---|---|---|---|---|
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 11/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
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 SCHEMBL14237131 | 0.86 | CCR2 (0.54) | CCR2 | |
| Bicarbonate SCHEMBL14237102 | 0.85 | CCR2 (0.58) | CCR2HCAR2CHRNA1CHRNB1CHRNB2 | |
| Bicarbonate SCHEMBL14237231 | 0.85 | CCR2 (0.58) | CCR2CHRNA1CHRNGCHRNB1CHRNB2 | |
| Bicarbonate SCHEMBL14237083 | 0.83 | CCR2 (0.54) | CCR2CHRNA1CHRNGCHRNB1CHRNB2 | |
| Bicarbonate SCHEMBL14237258 | 0.82 | CCR2 (0.56) | CCR2HPGD | |
| Bicarbonate SCHEMBL14237114 | 0.82 | CCR2 (0.61) | CCR2HCAR2KMT2AOPRM1EPHX2 | |
| SCHEMBL28842376 | 0.79 | CCR2 (0.45) | CCR2 | |
| Bicarbonate SCHEMBL14237079 | 0.79 | CCR2 (0.47) | CCR2MEN1KMT2A | |
| Bicarbonate SCHEMBL14237166 | 0.79 | CCR2 (0.46) | CCR2 | |
| Bicarbonate SCHEMBL14237132 | 0.77 | CCR2 (0.44) | 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 |