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 | 1/20 | 0.57 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.53 |
| ▸ | SELE | P16581 | 1/20 | 0.53 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7422996 | 0.96 | PDE5A (0.61) | PDE5AICAM1SELEVCAM1KDM4E | |
| Bicarbonate SCHEMBL7016114 | 0.92 | PDE5A (0.47) | PDE5AICAM1SELEVCAM1KDM4E | |
| Bicarbonate SCHEMBL7014406 | 0.90 | KDM4E (0.48) | PDE5AICAM1SELEVCAM1KDM4E | |
| SCHEMBL8179709 | 0.89 | ICAM1 (0.53) | PDE5AICAM1SELEVCAM1KDM4E | |
| Bicarbonate SCHEMBL7011719 | 0.88 | PDE5A (0.59) | PDE5APDE10ACHRM3PDE4APDE4B | |
| Bicarbonate SCHEMBL7013925 | 0.88 | PDE5A (0.43) | PDE5AICAM1SELEVCAM1KDM4E | |
| Bicarbonate SCHEMBL7014535 | 0.88 | PDE5A (0.44) | PDE5AICAM1SELEVCAM1KDM4E | |
| Bicarbonate SCHEMBL7012727 | 0.87 | ALDH1A1 (0.49) | PDE5AKDM4EALDH1A1HSD17B10PDE4A | |
| Bicarbonate SCHEMBL7011757 | 0.86 | ACHE (0.44) | PDE5AICAM1SELEVCAM1KDM4E | |
| Bicarbonate SCHEMBL7017039 | 0.86 | PDE5A (0.59) | PDE5APDE10ACHRM3PDE4APDE4B |
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 |