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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
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 SCHEMBL22439876 | 0.97 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL28027294 | 0.97 | — | — | |
| Bicarbonate SCHEMBL27177331 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL28194893 | 0.93 | — | — | |
| Bicarbonate SCHEMBL28465137 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| Bicarbonate SCHEMBL28097801 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL27546912 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL3248578 | 0.93 | — | — | |
| SCHEMBL329133 | 0.93 | — | — | |
| SCHEMBL11766358 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020040670-A1 | NOVEL ZINC COMPLEX, PRODUCTION AND USE OF SAME | Общество с ограниченной ответственностью "ЗЕТ Терапевтикс" | 2020-02-27 | — | — | WO | disclosed |