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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4061553 | 0.97 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL4937681 | 0.96 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4055123 | 0.90 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL4943549 | 0.89 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4057547 | 0.89 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| Bicarbonate SCHEMBL4053709 | 0.89 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3611776 | 0.88 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4061549 | 0.86 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4053860 | 0.85 | SLC6A2 (0.65) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL4937687 | 0.85 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061776-A1 | ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE | Wyeth a Corporation of the State of Delaware (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008073459-A1 | ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-19 | — | — | WO | disclosed |