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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | SSTR3 | P32745 | 8/20 | 0.39 |
| ▸ | USP1 | O94782 | 2/20 | 0.38 |
| ▸ | WDR48 | Q8TAF3 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 SCHEMBL7013971 | 0.91 | PDE5A (0.44) | PDE5ASSTR3USP1WDR48ESR1 | |
| SCHEMBL8179416 | 0.90 | PDE4B (0.41) | PDE5ASSTR3USP1WDR48PDE10A | |
| Bicarbonate SCHEMBL7014511 | 0.89 | PDE5A (0.45) | PDE5A | |
| Bicarbonate SCHEMBL7017039 | 0.89 | PDE5A (0.59) | PDE5AUSP1WDR48ESR1PDE10A | |
| Bicarbonate SCHEMBL7013925 | 0.89 | PDE5A (0.43) | PDE5ASSTR3USP1WDR48ESR1 | |
| Bicarbonate SCHEMBL7021903 | 0.89 | PDE5A (0.48) | PDE5AUSP1WDR48ESR1PDE10A | |
| Bicarbonate SCHEMBL7011764 | 0.88 | USP1 (0.42) | PDE5ASSTR3USP1WDR48ESR1 | |
| Bicarbonate SCHEMBL7020472 | 0.87 | PDE5A (0.42) | PDE5ASSTR3USP1WDR48ESR1 | |
| Bicarbonate SCHEMBL7017137 | 0.87 | LMNA (0.49) | PDE5AUSP1WDR48ALDH1A1LMNA | |
| Bicarbonate SCHEMBL7018623 | 0.86 | ACHE (0.44) | PDE5ALMNA |
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 3 patents. 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 |
| EP-0934321-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GmbH (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017668-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 1998-04-30 | — | — | WO | disclosed |