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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.43 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 SCHEMBL9647679 | 0.98 | CHRNA7 (0.45) | CA1CA2CHRNB4CHRNA3CHRNA7 | |
| Bicarbonate SCHEMBL9647658 | 0.95 | CHRNB4 (0.45) | CA1CA2CHRNB4CHRNA3CHRNA7 | |
| Bicarbonate SCHEMBL9647683 | 0.94 | CHRNB4 (0.44) | CA1CA2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9647652 | 0.78 | ACHE (0.43) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL3152149 | 0.78 | CA1 (0.52) | CA1CA2CHRNB4CHRNA3CHRNA7 | |
| Choline SCHEMBL9647637 | 0.77 | CA1 (0.41) | CA1CA2LMNA | |
| Bicarbonate SCHEMBL8662961 | 0.76 | MAPT (0.57) | KDM4EL3MBTL1 | |
| SCHEMBL9705907 | 0.74 | HRH3 (0.42) | — | |
| Bicarbonate SCHEMBL28421098 | 0.74 | CA1 (0.52) | CA1CA2SMN1; SMN2 | |
| SCHEMBL3134328 | 0.73 | CHRNB4 (0.47) | CA1CA2CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5082964-A | Selective acetylcholinesterase inhibitors and methods of making and using same | LEHIGH UNIVERSITY (US) | 1992-01-21 | — | — | US | disclosed |