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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
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 SCHEMBL9023366 | 0.88 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1SMN1; SMN2CHRM3TSHR | |
| Bicarbonate SCHEMBL9024843 | 0.87 | SIGMAR1 (0.52) | ALDH1A1SIGMAR1SMN1; SMN2CHRM3TSHR | |
| Bicarbonate SCHEMBL9023141 | 0.85 | DRD2 (0.48) | ALDH1A1SIGMAR1SMN1; SMN2DRD4DRD3 | |
| Bicarbonate SCHEMBL9023691 | 0.84 | DRD2 (0.52) | ALDH1A1SMN1; SMN2DRD4DRD3 | |
| Bicarbonate SCHEMBL9023590 | 0.82 | ITGB3 (0.53) | ALDH1A1SMN1; SMN2LMNADRD3KMT2A | |
| SCHEMBL23612751 | 0.75 | SIGMAR1 (0.71) | ALDH1A1SIGMAR1SMN1; SMN2CHRM5CHRM3 | |
| SCHEMBL6180151 | 0.75 | ITGB3 (0.61) | ALDH1A1DRD4 | |
| SCHEMBL10402097 | 0.75 | CHKA (0.50) | ALDH1A1SMN1; SMN2DRD4 | |
| SCHEMBL19034848 | 0.75 | SIGMAR1 (0.71) | ALDH1A1SIGMAR1SMN1; SMN2CHRM5CHRM3 | |
| SCHEMBL19636761 | 0.75 | SIGMAR1 (0.71) | ALDH1A1SIGMAR1SMN1; SMN2CHRM5CHRM3 |
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-0718287-A2 | Piperazine derivatives, medicaments containing them, their use, and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1996-06-26 | — | — | EP | disclosed |