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 | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 5/20 | 0.37 |
| ▸ | APP | P05067 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | USP1 | O94782 | 1/20 | 0.36 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 SCHEMBL7013346 | 0.91 | PDE5A (0.56) | PDE5AUSP1WDR48CCNE1CDK2 | |
| SCHEMBL8184758 | 0.90 | CSNK2A1 (0.39) | PDE5ACSNK2A1CSNK2A2CSNK2BACHE | |
| Bicarbonate SCHEMBL7019467 | 0.87 | TDP1 (0.40) | PDE5ATP53NPC1RAB9ATSHR | |
| Bicarbonate SCHEMBL7016713 | 0.87 | KDM4E (0.46) | USP1WDR48RAB9ATSHRSMN1; SMN2 | |
| Bicarbonate SCHEMBL7014406 | 0.86 | KDM4E (0.48) | PDE5ACSNK2A1CSNK2A2CSNK2BACHE | |
| Bicarbonate SCHEMBL7018200 | 0.86 | PDE5A (0.47) | PDE5ACSNK2A1CSNK2A2CSNK2BACHE | |
| Bicarbonate SCHEMBL7017937 | 0.86 | PDE5A (0.47) | PDE5ACSNK2A1CSNK2A2CSNK2BACHE | |
| Bicarbonate SCHEMBL7018842 | 0.83 | PDE5A (0.47) | PDE5AUSP1WDR48 | |
| Bicarbonate SCHEMBL7018347 | 0.83 | PDE5A (0.44) | PDE5ACSNK2A1CSNK2A2CSNK2BACHE | |
| Bicarbonate SCHEMBL7009687 | 0.81 | PDE5A (0.43) | PDE5AMEN1ALDH1A1MAPTKMT2A |
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 |