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 | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 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 SCHEMBL7015118 | 0.92 | ESR1 (0.42) | PDE10APDE5AALDH1A1CHRM3PDE4A | |
| Bicarbonate SCHEMBL7010796 | 0.90 | ALDH1A1 (0.49) | PDE10APDE5AALDH1A1MAPTLMNA | |
| Bicarbonate SCHEMBL7018286 | 0.90 | ALDH1A1 (0.57) | PDE10APDE5AALDH1A1CHRM3PDE4A | |
| SCHEMBL8180882 | 0.89 | PDE10A (0.53) | PDE10APDE5AALDH1A1CHRM3PDE4A | |
| Bicarbonate SCHEMBL7015536 | 0.89 | ALDH1A1 (0.40) | PDE10APDE5AALDH1A1CHRM3PDE4A | |
| Bicarbonate SCHEMBL7019697 | 0.87 | ALDH1A1 (0.43) | PDE10APDE5AALDH1A1PDE4APDE4B | |
| Bicarbonate SCHEMBL7016772 | 0.86 | MEN1 (0.42) | PDE5AALDH1A1ESR1F2MAPT | |
| Bicarbonate SCHEMBL7015968 | 0.86 | PTPN12 (0.46) | PDE5AALDH1A1PDE4APDE4BPDE4C | |
| Bicarbonate SCHEMBL7015972 | 0.85 | PDE5A (0.44) | PDE5A | |
| Bicarbonate SCHEMBL7016951 | 0.82 | PDE5A (0.54) | PDE10APDE5AALDH1A1CHRM3PDE4A |
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 |