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 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | VCP | P55072 | 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 | |
|---|---|---|---|---|
| SCHEMBL8187986 | 0.91 | PDE5A (0.43) | PDE5APOLBALDH1A1KDM4EMET | |
| Bicarbonate SCHEMBL7014883 | 0.88 | PDE5A (0.46) | PDE5APOLBALDH1A1KDM4EMEN1 | |
| Bicarbonate SCHEMBL7013346 | 0.88 | PDE5A (0.56) | PDE5AMAPTPDE4APDE4BPDE4C | |
| Bicarbonate SCHEMBL7014535 | 0.88 | PDE5A (0.44) | PDE5APOLBALDH1A1KDM4EMEN1 | |
| Bicarbonate SCHEMBL7015579 | 0.88 | PDE5A (0.46) | PDE5APOLBALDH1A1KDM4EMEN1 | |
| Bicarbonate SCHEMBL7018952 | 0.88 | PDE5A (0.46) | PDE5APOLBALDH1A1KDM4EMEN1 | |
| Bicarbonate SCHEMBL7018842 | 0.83 | PDE5A (0.47) | PDE5A | |
| Bicarbonate SCHEMBL7011764 | 0.82 | USP1 (0.42) | PDE5AAURKARPS6KB1TLR8 | |
| Bicarbonate SCHEMBL7018694 | 0.82 | ACHE (0.43) | PDE5AMEN1KMT2A | |
| Bicarbonate SCHEMBL7016966 | 0.81 | PDE5A (0.44) | PDE5AALDH1A1MEN1MAPTKMT2A |
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 |