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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 6/20 | 0.40 |
| ▸ | AOC2 | O75106 | 5/20 | 0.40 |
| ▸ | MAOB | P27338 | 5/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 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 SCHEMBL8116427 | 1.00 | GPBAR1 (0.44) | GPBAR1HRH3HPGDTSHRHTT | |
| SCHEMBL434338 | 0.91 | HRH3 (0.49) | GPBAR1HRH3MAOAAOC2MAOB | |
| Methylene Chloride SCHEMBL11335086 | 0.86 | HRH3 (0.46) | GPBAR1HRH3MAOAAOC2MAOB | |
| SCHEMBL24113076 | 0.81 | HTT (0.46) | GPBAR1HRH3HPGDTSHRHTT | |
| SCHEMBL7821097 | 0.81 | HTT (0.46) | GPBAR1HRH3HPGDTSHRHTT | |
| SCHEMBL31061821 | 0.81 | HTT (0.46) | GPBAR1HRH3HPGDTSHRHTT | |
| SCHEMBL4522017 | 0.79 | HTT (0.63) | GPBAR1HRH3HPGDTSHRHTT | |
| SCHEMBL13638405 | 0.77 | HRH3 (0.47) | GPBAR1HRH3MAOAAOC2MAOB | |
| SCHEMBL9935891 | 0.77 | HRH3 (0.49) | GPBAR1HRH3HPGDTSHRMAOA | |
| SCHEMBL5108298 | 0.77 | HRH3 (0.49) | GPBAR1HRH3HPGDTSHRMAOA |
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-0824531-B1 | METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN | PF MEDICAMENT (FR) | 2000-03-22 | — | — | EP | claimed |