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 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 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 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8171028 | 0.91 | PDE5A (0.44) | PDE5APOLBALDH1A1KDM4EMAPT | |
| Bicarbonate SCHEMBL7014883 | 0.91 | PDE5A (0.46) | PDE5APOLBALDH1A1KDM4EMAPT | |
| Bicarbonate SCHEMBL7018952 | 0.90 | PDE5A (0.46) | PDE5APOLBALDH1A1KDM4EMAPT | |
| Bicarbonate SCHEMBL7014535 | 0.88 | PDE5A (0.44) | PDE5APOLBALDH1A1KDM4EMAPT | |
| Bicarbonate SCHEMBL7009687 | 0.88 | PDE5A (0.43) | PDE5APOLBALDH1A1KDM4EMAPT | |
| Bicarbonate SCHEMBL7017039 | 0.87 | PDE5A (0.59) | PDE5AMAPTEGFRPDE10APDE4A | |
| Bicarbonate SCHEMBL7019697 | 0.84 | ALDH1A1 (0.43) | PDE5APOLBALDH1A1KDM4EMAPT | |
| SCHEMBL7425485 | 0.83 | PDE5A (0.64) | PDE5AEGFRPDE10APDE4APDE4B | |
| Bicarbonate SCHEMBL7020263 | 0.83 | PDE5A (0.46) | PDE5AALDH1A1PDE10APDE4BPDE4D | |
| Bicarbonate SCHEMBL7021386 | 0.82 | ALDH1A1 (0.47) | PDE5APOLBALDH1A1KDM4EMAPT |
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 1 patent. 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 |