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 | |
|---|---|---|---|---|
| ▸ | POLR1A | O95602 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5276278 | 0.90 | LTA4H (0.37) | POLR1APOLBLIPGKDM4EALDH1A1 | |
| SCHEMBL5273307 | 0.89 | POLB (0.39) | POLR1APOLBLIPGKDM4EALDH1A1 | |
| SCHEMBL6864646 | 0.87 | LIPG (0.45) | POLR1APOLBLIPGKDM4EALDH1A1 | |
| Bicarbonate SCHEMBL5274664 | 0.86 | POLB (0.36) | POLR1APOLBLIPGKDM4EALDH1A1 | |
| SCHEMBL13339929 | 0.84 | LIPG (0.41) | POLR1APOLBLIPGKDM4EALDH1A1 | |
| SCHEMBL6858810 | 0.83 | LIPG (0.47) | LIPGKDM4EALDH1A1HPGDGAA | |
| SCHEMBL15118483 | 0.83 | LIPG (0.36) | POLR1APOLBLIPGKDM4EALDH1A1 | |
| SCHEMBL5555947 | 0.81 | LIPG (0.35) | POLR1APOLBLIPGKDM4EALDH1A1 | |
| SCHEMBL8892680 | 0.81 | APP (0.45) | LIPGKDM4EALDH1A1HPGDGAA | |
| SCHEMBL5555850 | 0.81 | ALOX5 (0.35) | POLR1APOLBLIPGKDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1856046-A1 | CONJUGATES OF METAL COMPLEX HYDROXYPYRIDIN DERIVATIVES AND BIOMOLECULES AND THE USE THEREOF FOR PRODUCING AGENTS USED IN NMR DIAGNOSIS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-11-21 | — | — | EP | disclosed |
| EP-1828129-A1 | HYDROXYPYRIDINONE DERIVATIVES, THEIR METAL COMPLEXES AND THEIR USE IN THE PRODUCTION OF CONJUGATES WITH BIOMOLECULES | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006069678-A1 | CONJUGATES OF METAL COMPLEX HYDROXYPYRIDIN DERIVATIVES AND BIOMOLECULES AND THE USE THEREOF FOR PRODUCING AGENTS USED IN NMR DIAGNOSIS | SCHERING AG (DE) | 2006-07-06 | — | — | WO | disclosed |
| WO-2006069676-A1 | HYDROXYPYRIDINONE DERIVATIVES, THEIR METAL COMPLEXES AND THEIR USE IN THE PRODUCTION OF CONJUGATES WITH BIOMOLECULES | SCHERING AG (DE) | 2006-07-06 | — | — | WO | disclosed |