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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 7/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
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 SCHEMBL23931576 | 0.77 | ALDH1A1 (0.61) | ATMHCAR2ALDH1A1TSHRHPGD | |
| Bicarbonate SCHEMBL23931577 | 0.77 | ALDH1A1 (0.61) | ATMHCAR2ALDH1A1TSHRHPGD | |
| SCHEMBL9628393 | 0.77 | ATM (0.44) | ATMHCAR2ALDH1A1TSHRHPGD | |
| SCHEMBL9628385 | 0.77 | ATM (0.44) | ATMHCAR2ALDH1A1TSHRHPGD | |
| Hydrogen Peroxide SCHEMBL28081782 | 0.74 | ALDH1A1 (0.64) | ATMHCAR2ALDH1A1TSHRHPGD | |
| Hydrogen Peroxide SCHEMBL28209879 | 0.74 | ALDH1A1 (0.64) | ATMHCAR2ALDH1A1TSHRHPGD | |
| SCHEMBL140770 | 0.73 | — | — | |
| SCHEMBL9015338 | 0.73 | ATM (0.46) | ATMHCAR2ALDH1A1TSHRHPGD | |
| SCHEMBL9496917 | 0.73 | ATM (0.46) | ATMHCAR2ALDH1A1TSHRHPGD | |
| Bicarbonate SCHEMBL3965101 | 0.72 | ALDH1A1 (0.61) | ATMHCAR2ALDH1A1TSHRHPGD |
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 |