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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6569039 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL7192620 | 0.82 | ALDH1A1 (0.34) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL8702438 | 0.69 | ALDH1A1 (0.44) | ALDH1A1TSHR | |
| SCHEMBL7593870 | 0.64 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL7976645 | 0.62 | ALDH1A1 (0.52) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL3312145 | 0.62 | ALDH1A1 (0.34) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11212718 | 0.62 | — | — | |
| SCHEMBL7784947 | 0.62 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL325008 | 0.61 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL27525697 | 0.61 | ALDH1A1 (0.39) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-109956944-A | Western acridine compound and preparation method thereof in a kind of polysubstituted pyrrole | 复旦大学 | 2019-07-02 | — | — | CN | claimed |