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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.54 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | WDR5 | P61964 | 1/20 | 0.45 |
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 SCHEMBL1961579 | 0.93 | ALDH1A1 (0.74) | CYP2A6ALDH1A1NR4A1NR4A2NR4A3 | |
| Acetic Acid SCHEMBL31412758 | 0.93 | ALDH1A1 (0.74) | CYP2A6ALDH1A1NR4A1NR4A2NR4A3 | |
| Acetic Acid SCHEMBL28004587 | 0.91 | ALDH1A1 (0.71) | CYP2A6ALDH1A1NR4A1NR4A2NR4A3 | |
| Carbamic Acid SCHEMBL28454155 | 0.91 | ALDH1A1 (0.71) | CYP2A6ALDH1A1NR4A1NR4A2NR4A3 | |
| Acetone SCHEMBL27948247 | 0.91 | CYP2A6 (0.77) | CYP2A6ALDH1A1NR4A1NR4A2NR4A3 | |
| Benzene SCHEMBL27993507 | 0.91 | CYP2A6 (0.94) | CYP2A6ALDH1A1NR4A1NR4A2NR4A3 | |
| Butanedione SCHEMBL27716374 | 0.89 | ALDH1A1 (0.74) | CYP2A6ALDH1A1NR4A1NR4A2NR4A3 | |
| Methyl Alcohol SCHEMBL5219669 | 0.88 | CYP2A6 (0.90) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL29903166 | 0.88 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL7517852 | 0.88 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD |
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-1860092-B1 | Method for producing naphthalenedicarboxylic acid | HYOSUNG CORP (KR) | 2012-01-11 | — | — | EP | claimed |