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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL37382 | 0.98 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Water SCHEMBL8217838 | 0.95 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Ammonia Solution, Strong SCHEMBL9998884 | 0.95 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL10184395 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL48133 | 0.88 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL454115 | 0.88 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL17788435 | 0.87 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL8452058 | 0.87 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Guanidine SCHEMBL27358697 | 0.87 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL304535 | 0.87 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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-113896685-B | Indoleamine-2, 3-dioxygenase (IDO) inhibitors | 益方生物科技(上海)股份有限公司 | 2024-02-06 | — | — | CN | disclosed |