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 | |
|---|---|---|---|---|
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL456419 | 0.87 | ITGB2 (0.45) | BAZ2BTSHRKDM4EITGB2ICAM1 | |
| SCHEMBL33274 | 0.87 | — | — | |
| Propionic Acid SCHEMBL23529449 | 0.85 | ATM (0.43) | BAZ2BTSHRKDM4EPTGS1PTGS2 | |
| Methyl Alcohol SCHEMBL1142051 | 0.84 | ITGB2 (0.39) | BAZ2BTSHRKDM4EPTGS1PTGS2 | |
| SCHEMBL23247119 | 0.84 | ITGB2 (0.43) | BAZ2BITGB2ICAM1ITGALHTT | |
| SCHEMBL25248367 | 0.84 | ITGB2 (0.43) | BAZ2BITGB2ICAM1ITGALHTT | |
| Methacrylic Acid SCHEMBL1829981 | 0.83 | POLB (0.39) | BAZ2BKDM4EPTGS1PTGS2HTT | |
| SCHEMBL4358988 | 0.82 | ITGB2 (0.38) | BAZ2BTSHRKDM4EITGB2ICAM1 | |
| SCHEMBL4358985 | 0.81 | ITGB2 (0.41) | BAZ2BTSHRKDM4EITGB2ICAM1 | |
| SCHEMBL35210077 | 0.81 | ITGB2 (0.41) | BAZ2BITGB2ICAM1ITGALHTT |
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-1142888-B1 | Process for the preparation of Dialcoxythiophenes and Alkylendioxythiophenes | BAYER AG (DE) | 2004-09-08 | — | — | EP | disclosed |
| EP-1167368-B1 | Process for the preparation of 3,4-alkylenedioxythiophene-2,5-dicarboxylic acid derivatives | BAYER AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| EP-1167368-A1 | Process for the preparation of 3,4-alkylenedioxythiophene-2,5-dicarboxylic acid derivatives | Bayer Aktiengesellschaft (DE) | 2002-01-02 | — | — | EP | disclosed |
| EP-1142888-A1 | Process for the preparation of Dialcoxythiophenes and Alkylendioxythiophenes | BAYER AG (DE) | 2001-10-10 | — | — | EP | disclosed |