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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 2/20 | 0.53 |
| ▸ | F2 | P00734 | 2/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.48 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 SCHEMBL27645889 | 0.98 | CA1 (0.55) | CA1CA2CA9TTRF2 | |
| Benzene SCHEMBL8992706 | 0.96 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| SCHEMBL27719293 | 0.94 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL29358913 | 0.94 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL4323 | 0.94 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL30304762 | 0.94 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| Phosphine SCHEMBL25249741 | 0.92 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| SCHEMBL5684936 | 0.92 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| Water SCHEMBL8193333 | 0.92 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| SCHEMBL22735026 | 0.92 | CA1 (0.61) | CA1CA2CA9TTRF2 |
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-1070399-A | The amide derivatives oxytocin antagonist that piperizinylcamphorsuoxytocin replaces | MERCK & CO INC (US) | 1993-03-31 | — | — | CN | disclosed |