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 | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9519687 | 1.00 | ALOX15 (0.47) | ALOX15TSHRCES2CES1SRD5A2 | |
| Bicarbonate SCHEMBL9519795 | 0.83 | ALDH1A1 (0.48) | CES2CES1SRD5A2HPGDMAPT | |
| Bicarbonate SCHEMBL9520143 | 0.82 | TSHR (0.43) | ALOX15TSHRCES2CES1CA1 | |
| Bicarbonate SCHEMBL9521636 | 0.82 | TSHR (0.43) | ALOX15TSHRCES2CES1CA1 | |
| Bicarbonate SCHEMBL9521030 | 0.82 | TSHR (0.43) | ALOX15TSHRCES2CES1CA1 | |
| SCHEMBL10683119 | 0.82 | MAOB (0.41) | HPGDMAPTBCL2L1ALDH1A1LMNA | |
| Bicarbonate SCHEMBL9521060 | 0.81 | CES2 (0.43) | CES2CES1CA1CA2MAPT | |
| Bicarbonate SCHEMBL9521282 | 0.80 | SMN1; SMN2 (0.50) | HPGDMAPTCYP1A2GSK3BKDM4E | |
| Bicarbonate SCHEMBL9520835 | 0.80 | PARP1 (0.47) | HPGDMAPTCYP2C19ERCC5FEN1 | |
| Bicarbonate SCHEMBL9519284 | 0.80 | PARP1 (0.47) | HPGDMAPTCYP2C19ERCC5FEN1 |
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-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |