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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.45 |
| ▸ | GAA | P10253 | 6/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL101785 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27546033 | 0.89 | ALDH1A1 (0.50) | KEAP1HDAC1ALDH1A1HSD17B10GAA | |
| Bicarbonate SCHEMBL10460518 | 0.74 | CA2 (0.50) | ALDH1A1HSD17B10HPGDMEN1KMT2A | |
| SCHEMBL21369192 | 0.74 | ALDH1A1 (0.67) | ALDH1A1HSD17B10GAAALOX15HPGD | |
| SCHEMBL25958 | 0.74 | KEAP1 (0.70) | KEAP1HDAC1ALDH1A1HSD17B10GAA | |
| Hydrochloric Acid SCHEMBL9651484 | 0.72 | KEAP1 (0.68) | KEAP1HDAC1ALDH1A1HSD17B10GAA | |
| SCHEMBL102227 | 0.72 | — | — | |
| SCHEMBL79989 | 0.71 | KDM4E (0.64) | ALDH1A1HSD17B10GAAALOX15HPGD | |
| SCHEMBL29476052 | 0.71 | KDM4E (0.64) | ALDH1A1HSD17B10GAAALOX15HPGD | |
| SCHEMBL130520 | 0.71 | ACMSD (0.66) | KEAP1ALDH1A1HSD17B10ALOX15HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2277870-A1 | Substituted benzoxa(thia)zoles | Bayer CropScience AG (DE) | 2011-01-26 | — | — | EP | disclosed |
| WO-2010149308-A2 | SUBSTITUTED BENZOXA (THIA) ZOLES | BAYER CROPSCIENCE AG (DE) | 2010-12-29 | — | — | WO | disclosed |