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 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 SCHEMBL9520143 | 0.89 | TSHR (0.43) | SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1 | |
| Bicarbonate SCHEMBL9521030 | 0.89 | TSHR (0.43) | SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1 | |
| Bicarbonate SCHEMBL9521636 | 0.89 | TSHR (0.43) | SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1 | |
| SCHEMBL15152900 | 0.82 | ALDH1A1 (0.38) | MAPTL3MBTL1ALDH1A1CYP1A2 | |
| SCHEMBL9519534 | 0.82 | ALDH1A1 (0.38) | MAPTL3MBTL1ALDH1A1CYP1A2 | |
| SCHEMBL9519520 | 0.82 | ALDH1A1 (0.38) | MAPTL3MBTL1ALDH1A1CYP1A2 | |
| Bicarbonate SCHEMBL9519795 | 0.81 | ALDH1A1 (0.48) | SMN1; SMN2MAPTHPGDRAB9ANPC1 | |
| SCHEMBL8215241 | 0.81 | POLB (0.50) | SMN1; SMN2MAPTL3MBTL1HPGDRAB9A | |
| Bicarbonate SCHEMBL9523143 | 0.80 | CES2 (0.57) | SMN1; SMN2MAPTHPGDRAB9ANPC1 | |
| Bicarbonate SCHEMBL9522412 | 0.80 | CES2 (0.57) | SMN1; SMN2MAPTHPGDRAB9ANPC1 |
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 |