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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 SCHEMBL7016951 | 0.90 | PDE5A (0.54) | ALDH1A1PDE5ASMN1; SMN2ESR1HTT | |
| SCHEMBL8170169 | 0.89 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KDM4EHPGDESR1 | |
| Bicarbonate SCHEMBL7014194 | 0.86 | KDM4E (0.41) | ALDH1A1SMN1; SMN2KDM4EESR1HTT | |
| Bicarbonate SCHEMBL7016370 | 0.86 | KDM4E (0.48) | ALDH1A1SMN1; SMN2KDM4EHTTRAB9A | |
| Bicarbonate SCHEMBL7016458 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EHTTLMNA | |
| Bicarbonate SCHEMBL7010796 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PDE5ALMNAMAPT | |
| Bicarbonate SCHEMBL7019142 | 0.82 | ESR1 (0.48) | ALDH1A1PDE5ASMN1; SMN2KDM4EHPGD | |
| Bicarbonate SCHEMBL7014095 | 0.81 | HTT (0.51) | ALDH1A1PDE5ASMN1; SMN2HPGDHTT | |
| Bicarbonate SCHEMBL7018200 | 0.80 | PDE5A (0.47) | ALDH1A1PDE5ASMN1; SMN2KDM4EHPGD | |
| SCHEMBL23241868 | 0.80 | PDE10A (0.58) | ALDH1A1PDE5AESR1RAB9ALMNA |
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 |