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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.43 |
| ▸ | APP | P05067 | 7/20 | 0.43 |
| ▸ | BCHE | P06276 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 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 SCHEMBL7020923 | 0.93 | PDE5A (0.43) | PDE5A | |
| SCHEMBL8178399 | 0.91 | ACHE (0.42) | ACHEAPPBCHEMEN1KMT2A | |
| Bicarbonate SCHEMBL7011757 | 0.88 | ACHE (0.44) | ACHEAPPBCHEMEN1KMT2A | |
| Bicarbonate SCHEMBL7014415 | 0.88 | ACHE (0.45) | ACHEAPPBCHEMEN1KMT2A | |
| Bicarbonate SCHEMBL7018623 | 0.87 | ACHE (0.44) | ACHEAPPBCHEMEN1KMT2A | |
| Bicarbonate SCHEMBL7018842 | 0.86 | PDE5A (0.47) | PDE5A | |
| Bicarbonate SCHEMBL7013346 | 0.86 | PDE5A (0.56) | PDE5AF2 | |
| Bicarbonate SCHEMBL7011764 | 0.85 | USP1 (0.42) | PDE5A | |
| Bicarbonate SCHEMBL7013300 | 0.84 | ACHE (0.42) | ACHEAPPBCHEMEN1KMT2A | |
| Bicarbonate SCHEMBL7020099 | 0.84 | HTT (0.47) | MEN1KMT2ALMNASMN1; SMN2PDE5A |
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 |