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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | DRD3 | P35462 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
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 SCHEMBL9024843 | 0.99 | SIGMAR1 (0.52) | SIGMAR1DRD2DRD3ALDH1A1POLB | |
| Bicarbonate SCHEMBL9023141 | 0.92 | DRD2 (0.48) | SIGMAR1DRD2DRD3ALDH1A1POLB | |
| Bicarbonate SCHEMBL9023691 | 0.91 | DRD2 (0.52) | DRD2DRD3ALDH1A1POLBSMN1; SMN2 | |
| Bicarbonate SCHEMBL9024261 | 0.88 | ALDH1A1 (0.63) | SIGMAR1DRD3ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL1314318 | 0.83 | SIGMAR1 (0.56) | SIGMAR1DRD2DRD3ALDH1A1SMN1; SMN2 | |
| SCHEMBL1317312 | 0.83 | DRD2 (0.63) | SIGMAR1DRD2DRD3POLBTSHR | |
| SCHEMBL8837987 | 0.77 | ITGB3 (0.63) | DRD2ITGB3ITGA2B | |
| SCHEMBL9024669 | 0.76 | ITGB3 (0.60) | SMN1; SMN2ITGB3ITGA2B | |
| Bicarbonate SCHEMBL9023590 | 0.76 | ITGB3 (0.53) | DRD2DRD3ALDH1A1SMN1; SMN2ITGB3 | |
| Hydrochloric Acid SCHEMBL9023772 | 0.75 | ITGB3 (0.59) | SMN1; SMN2ITGB3ITGA2B |
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 2 patents. 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 | claimed |
| 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 |