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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | PTAFR | P25105 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9519284 | 1.00 | PARP1 (0.47) | PARP1ALDH1A1GAAMAPTHPGD | |
| SCHEMBL10397703 | 0.82 | PARP1 (0.49) | PARP1ALDH1A1GAAMAPTHPGD | |
| SCHEMBL10398588 | 0.82 | PARP1 (0.49) | PARP1ALDH1A1GAAMAPTHPGD | |
| SCHEMBL10397702 | 0.82 | PARP1 (0.49) | PARP1ALDH1A1GAAMAPTHPGD | |
| Bicarbonate SCHEMBL9520143 | 0.81 | TSHR (0.43) | PARP1ALDH1A1MAPTHPGDPOLB | |
| Bicarbonate SCHEMBL9521030 | 0.81 | TSHR (0.43) | PARP1ALDH1A1MAPTHPGDPOLB | |
| Bicarbonate SCHEMBL9521636 | 0.81 | TSHR (0.43) | PARP1ALDH1A1MAPTHPGDPOLB | |
| Bicarbonate SCHEMBL9519804 | 0.81 | CES2 (0.50) | PARP1HPGDPTAFRKCNK3POLB | |
| Bicarbonate SCHEMBL9520333 | 0.81 | CES2 (0.50) | PARP1HPGDPTAFRKCNK3POLB | |
| Bicarbonate SCHEMBL9522082 | 0.80 | ALOX15 (0.47) | ALDH1A1MAPTHPGDERCC5FEN1 |
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 |