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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849170 | 0.89 | — | — | |
| Bicarbonate SCHEMBL30774952 | 0.84 | ACHE (0.40) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Bicarbonate SCHEMBL19458454 | 0.84 | ACHE (0.40) | CYP1A2TSHRNFKB1MAOAMAOB | |
| SCHEMBL1639826 | 0.81 | — | — | |
| Bicarbonate SCHEMBL19118378 | 0.78 | CYP1A2 (0.41) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Pimagedine SCHEMBL27784772 | 0.78 | TSHR (0.50) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Pimagedine SCHEMBL6665719 | 0.78 | TSHR (0.50) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Pimagedine SCHEMBL9952232 | 0.78 | TSHR (0.50) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Pimagedine SCHEMBL40128 | 0.78 | — | — | |
| SCHEMBL14433093 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6350307-B1 | AZO PIGMENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-02-26 | — | — | US | disclosed |