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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.42 |
| ▸ | APP | P05067 | 6/20 | 0.42 |
| ▸ | BCHE | P06276 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 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 SCHEMBL7017593 | 0.93 | PDE5A (0.45) | PDE5A | |
| SCHEMBL8180403 | 0.91 | ACHE (0.42) | ACHEAPPBCHEALDH1A1LMNA | |
| Bicarbonate SCHEMBL7014415 | 0.87 | ACHE (0.45) | ACHEAPPBCHEMEN1KMT2A | |
| Bicarbonate SCHEMBL7018623 | 0.86 | ACHE (0.44) | ACHEAPPBCHELMNAMAPT | |
| Bicarbonate SCHEMBL7013221 | 0.86 | PDE5A (0.55) | ACHEALDH1A1MAPTMEN1KMT2A | |
| Bicarbonate SCHEMBL7011757 | 0.86 | ACHE (0.44) | ACHEAPPBCHEALDH1A1MEN1 | |
| Bicarbonate SCHEMBL7014883 | 0.86 | PDE5A (0.46) | ALDH1A1MAPTMEN1KMT2APDE5A | |
| Bicarbonate SCHEMBL7020472 | 0.86 | PDE5A (0.42) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| Bicarbonate SCHEMBL7021236 | 0.85 | PDE5A (0.45) | ALDH1A1PDE5A | |
| Bicarbonate SCHEMBL7018662 | 0.84 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTMEN1KMT2A |
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 |