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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.57 |
| ▸ | PDE5A | O76074 | 1/20 | 0.54 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 SCHEMBL7020354 | 0.91 | ALDH1A1 (0.50) | ALDH1A1PDE5APDE10ALMNAMAPT | |
| Bicarbonate SCHEMBL7017171 | 0.90 | PDE10A (0.52) | ALDH1A1PDE5APDE10ALMNAMAPT | |
| Bicarbonate SCHEMBL7016458 | 0.90 | ALDH1A1 (0.60) | ALDH1A1LMNAMAPTALOX15KDM4E | |
| SCHEMBL8183118 | 0.89 | ALDH1A1 (0.59) | ALDH1A1PDE5APDE10ALMNAMAPT | |
| Bicarbonate SCHEMBL7017954 | 0.87 | ALDH1A1 (0.48) | ALDH1A1PDE5APDE10ALMNAMAPT | |
| Bicarbonate SCHEMBL7021386 | 0.87 | ALDH1A1 (0.47) | ALDH1A1PDE5APDE10ALMNAMAPT | |
| Bicarbonate SCHEMBL7017359 | 0.85 | PTPN12 (0.47) | ALDH1A1LMNAMAPTALOX15KDM4E | |
| Bicarbonate SCHEMBL7017197 | 0.85 | ALDH1A1 (0.47) | ALDH1A1PDE5ALMNAMAPTALOX15 | |
| Bicarbonate SCHEMBL7016951 | 0.84 | PDE5A (0.54) | ALDH1A1PDE5APDE10ALMNACHRM3 | |
| Bicarbonate SCHEMBL7021451 | 0.83 | ALDH1A1 (0.45) | ALDH1A1PDE5ALMNAMAPTALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934321-B1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2003-08-06 | — | — | EP | disclosed |