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 | |
|---|---|---|---|---|
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | SELE | P16581 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 6/20 | 0.41 |
| ▸ | TCF7L2 | Q9NQB0 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | USP1 | O94782 | 1/20 | 0.38 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7016629 | 0.92 | PDE5A (0.57) | PDE5AICAM1SELEVCAM1MEN1 | |
| SCHEMBL8179043 | 0.90 | ICAM1 (0.43) | PDE5AICAM1SELEVCAM1MEN1 | |
| Bicarbonate SCHEMBL7018576 | 0.89 | PDE5A (0.48) | PDE5ACTNNB1TCF7L2GSK3AGSK3B | |
| SCHEMBL7422996 | 0.87 | PDE5A (0.61) | PDE5AICAM1SELEVCAM1MEN1 | |
| Bicarbonate SCHEMBL7013925 | 0.87 | PDE5A (0.43) | PDE5AICAM1SELEVCAM1MEN1 | |
| Bicarbonate SCHEMBL7018842 | 0.87 | PDE5A (0.47) | PDE5ACTNNB1TCF7L2USP1WDR48 | |
| Bicarbonate SCHEMBL7021903 | 0.87 | PDE5A (0.48) | PDE5ACTNNB1TCF7L2SMN1; SMN2USP1 | |
| Bicarbonate SCHEMBL7012727 | 0.86 | ALDH1A1 (0.49) | PDE5AMEN1KDM4EALDH1A1HSD17B10 | |
| Bicarbonate SCHEMBL7011757 | 0.86 | ACHE (0.44) | PDE5AICAM1SELEVCAM1MEN1 | |
| Bicarbonate SCHEMBL7021236 | 0.84 | PDE5A (0.45) | PDE5AALDH1A1CTNNB1TCF7L2SMN1; SMN2 |
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 |