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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9120366 | 0.89 | — | — | |
| SCHEMBL1427568 | 0.78 | — | — | |
| SCHEMBL4147346 | 0.78 | — | — | |
| SCHEMBL1427570 | 0.78 | — | — | |
| Bicarbonate SCHEMBL11352164 | 0.75 | TSHR (0.36) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL1066497 | 0.73 | HCAR2 (0.42) | TSHRHCAR2KEAP1NFE2L2 | |
| SCHEMBL589408 | 0.73 | HCAR2 (0.42) | TSHRHCAR2KEAP1NFE2L2 | |
| SCHEMBL589407 | 0.73 | HCAR2 (0.42) | TSHRHCAR2KEAP1NFE2L2 | |
| SCHEMBL17466111 | 0.73 | — | — | |
| Bicarbonate SCHEMBL9842889 | 0.70 | ATM (0.48) | TSHRHCAR2ALDH1A1 |
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-0409147-A2 | Process for the preparation of tetronic acid esters | LONZA AG (CH) | 1991-01-23 | — | — | EP | disclosed |