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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3686900 | 1.00 | EPHX1 (0.37) | EPHX1ALDH1A1KDM4ESMYD3ALOX15 | |
| Bicarbonate SCHEMBL1132251 | 1.00 | EPHX1 (0.37) | EPHX1ALDH1A1KDM4ESMYD3ALOX15 | |
| Carbamic Acid SCHEMBL27767727 | 0.92 | ACHE (0.37) | EPHX1ALDH1A1KDM4ESMYD3ALOX15 | |
| Acetic Acid SCHEMBL27649071 | 0.90 | FFAR3 (0.35) | EPHX1ALDH1A1KDM4ESMYD3ALOX15 | |
| Pivalate SCHEMBL5395462 | 0.85 | CYP2C9 (0.35) | EPHX1ALDH1A1KDM4E | |
| Pivalate SCHEMBL5395467 | 0.85 | CYP2C9 (0.35) | EPHX1ALDH1A1KDM4E | |
| Methyl Alcohol SCHEMBL11189585 | 0.85 | ESR2 (0.32) | EPHX1 | |
| Methyl Alcohol SCHEMBL11519103 | 0.85 | ESR2 (0.32) | EPHX1 | |
| SCHEMBL49052 | 0.85 | — | — | |
| SCHEMBL4456250 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0754175-A1 | ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES | BAYER AG (DE) | 1997-01-22 | — | — | EP | disclosed |