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 | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SLC6A12 | P48065 | 3/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.36 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | OAT | P04181 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 SCHEMBL7136582 | 1.00 | GABRR1 (0.42) | GABRR1CA1CA2CA9SLC6A12 | |
| Bicarbonate SCHEMBL1702507 | 1.00 | — | — | |
| Bicarbonate SCHEMBL8743136 | 0.96 | — | — | |
| Bicarbonate SCHEMBL578685 | 0.93 | — | — | |
| Cyclopentanamine SCHEMBL578697 | 0.89 | THRB (0.39) | GABRR1LMNAOAT | |
| Bicarbonate SCHEMBL11593113 | 0.89 | PEPD (0.41) | GABRR1CA1CA2CA9SLC6A12 | |
| Oxalic Acid SCHEMBL27895423 | 0.88 | GABRR1 (0.40) | GABRR1SLC6A12SLC6A11SLC6A13ACHE | |
| Cyclohexylamine SCHEMBL578785 | 0.87 | CES2 (0.43) | NPC1RAB9ASMN1; SMN2 | |
| Cyclooctanamine SCHEMBL11193013 | 0.87 | CES2 (0.43) | NPC1RAB9ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL974340 | 0.87 | CES2 (0.43) | NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1325328-A2 | METHOD FOR DETERMINING THE QUANTITY OF LIGANDS THAT ARE BOUND TO TARGET MOLECULES | november Aktiengesellschaft Gesellschaft für Molekulare Medizin (DE) | 2003-07-09 | — | — | EP | disclosed |
| WO-2001094943-A2 | METHOD FOR DETERMINING THE QUANTITY OF LIGANDS THAT ARE BOUND TO TARGET MOLECULES | november Aktiengesellschaft Gesellschaft für Molekulare Medizin (DE) | 2001-12-13 | — | — | WO | disclosed |