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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 14/20 | 0.45 |
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 SCHEMBL7014511 | 0.92 | PDE5A (0.45) | PDE5A | |
| Bicarbonate SCHEMBL7014415 | 0.92 | ACHE (0.45) | PDE5A | |
| Bicarbonate SCHEMBL7013971 | 0.90 | PDE5A (0.44) | PDE5A | |
| Bicarbonate SCHEMBL7016622 | 0.90 | PDE5A (0.44) | PDE5A | |
| Bicarbonate SCHEMBL7020923 | 0.89 | PDE5A (0.43) | PDE5A | |
| Bicarbonate SCHEMBL7017593 | 0.88 | PDE5A (0.45) | PDE5A | |
| Bicarbonate SCHEMBL7018623 | 0.86 | ACHE (0.44) | PDE5A | |
| Bicarbonate SCHEMBL7015972 | 0.86 | PDE5A (0.44) | PDE5A | |
| Bicarbonate SCHEMBL7021451 | 0.86 | ALDH1A1 (0.45) | PDE5A | |
| Bicarbonate SCHEMBL7016839 | 0.84 | ESR1 (0.45) | PDE5A |
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 |