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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.51 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.44 |
| ▸ | GLRB | P48167 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.41 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL29467329 | 0.93 | ALOX5 (0.49) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| SCHEMBL29467330 | 0.93 | ALOX5 (0.49) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| SCHEMBL187267 | 0.93 | ALOX5 (0.49) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| SCHEMBL31532241 | 0.91 | ALOX5 (0.48) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| SCHEMBL28867677 | 0.91 | ALOX5 (0.48) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28559913 | 0.91 | ALOX5 (0.48) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| Methyl Alcohol SCHEMBL27851080 | 0.91 | ALOX5 (0.48) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| Ethylene SCHEMBL9319950 | 0.90 | ALOX5 (0.47) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| Bicarbonate SCHEMBL22462071 | 0.89 | ALOX5 (0.47) | ALOX5PTGS2GLRA3GLRBALDH1A1 | |
| Acetic Acid SCHEMBL27891477 | 0.87 | ALOX5 (0.46) | ALOX5PTGS2GLRA3GLRBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111316461-B | Organic light emitting element | 东丽先端材料研究开发（中国）有限公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-111316461-A | Organic light emitting element | 东丽先端材料研究开发（中国）有限公司 | 2020-06-19 | — | — | CN | disclosed |