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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SSTR3 | P32745 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
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 SCHEMBL7017954 | 0.93 | ALDH1A1 (0.48) | ALDH1A1ESR1PDE10APDE5ALMNA | |
| Bicarbonate SCHEMBL7015972 | 0.91 | PDE5A (0.44) | PDE5A | |
| SCHEMBL8187334 | 0.90 | ALDH1A1 (0.41) | ALDH1A1PDE10APDE5ALMNAMAPT | |
| Bicarbonate SCHEMBL7017171 | 0.89 | PDE10A (0.52) | ALDH1A1ESR1PDE10APDE5ALMNA | |
| Bicarbonate SCHEMBL7015118 | 0.88 | ESR1 (0.42) | ALDH1A1ESR1PDE10APDE5ALMNA | |
| Bicarbonate SCHEMBL7016772 | 0.88 | MEN1 (0.42) | ALDH1A1ESR1PDE5ALMNAMAPT | |
| Bicarbonate SCHEMBL7015968 | 0.88 | PTPN12 (0.46) | ALDH1A1PDE5ALMNAMAPTKMT2A | |
| Bicarbonate SCHEMBL7018680 | 0.85 | ESR1 (0.48) | ESR1PDE10APDE5ASSTR3HRH3 | |
| Bicarbonate SCHEMBL7018633 | 0.85 | MAPT (0.46) | ALDH1A1ESR1PDE5ALMNAMAPT | |
| Bicarbonate SCHEMBL7013971 | 0.84 | PDE5A (0.44) | ESR1PDE10APDE5ASSTR3HRH3 |
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 |