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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | SSTR3 | P32745 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 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 SCHEMBL7016839 | 0.91 | ESR1 (0.45) | ESR1PDE5A | |
| SCHEMBL8178206 | 0.90 | ESR1 (0.48) | ESR1PDE10A | |
| Bicarbonate SCHEMBL7016951 | 0.87 | PDE5A (0.54) | ESR1PDE10APDE5A | |
| Bicarbonate SCHEMBL7019142 | 0.86 | ESR1 (0.48) | ESR1PDE10APDE5A | |
| Bicarbonate SCHEMBL7013383 | 0.86 | ESR1 (0.44) | ESR1PDE5A | |
| Bicarbonate SCHEMBL7015536 | 0.85 | ALDH1A1 (0.40) | ESR1PDE10APDE5ASSTR3HRH3 | |
| Bicarbonate SCHEMBL7017954 | 0.85 | ALDH1A1 (0.48) | ESR1PDE10APDE5ASSTR3 | |
| Bicarbonate SCHEMBL7018633 | 0.83 | MAPT (0.46) | ESR1PDE5AMMP8MMP13 | |
| Bicarbonate SCHEMBL7013971 | 0.83 | PDE5A (0.44) | ESR1PDE10APDE5ASSTR3MMP8 | |
| Bicarbonate SCHEMBL7018468 | 0.82 | ALDH1A1 (0.44) | ESR1PDE5A |
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 |