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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7871097 | 0.93 | CA2 (0.41) | CA2CA4CYP1A2CYP2D6ALDH1A1 | |
| Oxalic Acid SCHEMBL1053513 | 0.93 | CA2 (0.41) | CA2CA4CYP1A2CYP2D6ALDH1A1 | |
| Benzoic Acid SCHEMBL7871227 | 0.87 | CA2 (0.64) | CA2CA4ALDH1A1TSHRLMNA | |
| Bicarbonate SCHEMBL11217064 | 0.85 | CA2 (0.42) | CA2CA4CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7877206 | 0.84 | HIF1A (0.41) | CYP2D6ALDH1A1TSHRLMNAATM | |
| SCHEMBL30596201 | 0.84 | HIF1A (0.45) | CYP2D6ALDH1A1TSHRLMNAATM | |
| Bromide SCHEMBL2355315 | 0.81 | HIF1A (0.43) | CYP2D6ALDH1A1TSHRLMNAATM | |
| Hydrochloric Acid SCHEMBL5085115 | 0.81 | HIF1A (0.43) | CYP2D6ALDH1A1TSHRLMNAATM | |
| Fluoride Ion SCHEMBL1961963 | 0.81 | HIF1A (0.43) | CYP2D6ALDH1A1TSHRLMNAATM | |
| Iodide SCHEMBL5087524 | 0.81 | HIF1A (0.43) | CYP2D6ALDH1A1TSHRLMNAATM |
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-0999206-B1 | Process for producing alpha cyano acetic acid esters | BASF AG (DE) | 2002-09-18 | — | — | EP | disclosed |
| EP-0999206-A1 | Process for producing alpha cyano acetic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-10 | — | — | EP | disclosed |