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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GRM8 | O00222 | 1/20 | 0.33 |
| ▸ | GRM6 | O15303 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1700851 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL20899795 | 0.84 | — | — | |
| Trifluoroacetic Acid SCHEMBL952037 | 0.81 | MAOB (0.33) | MAOBMAOAGRM4CYP2C19ALDH1A1 | |
| SCHEMBL2354693 | 0.80 | — | — | |
| SCHEMBL20280011 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL29921813 | 0.74 | SLC6A4 (0.41) | MAOBGRM4CYP2C19ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL27224936 | 0.74 | SLC6A4 (0.41) | MAOBGRM4CYP2C19ALDH1A1CYP1A2 | |
| Bicarbonate SCHEMBL9660887 | 0.73 | APLNR (0.38) | CYP2C19CYP1A2GRM6 | |
| SCHEMBL29921681 | 0.71 | SLC6A4 (0.42) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL30848549 | 0.71 | SLC6A4 (0.42) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0198192-B1 | 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM | BAYER AG (DE) | 1992-05-13 | — | — | EP | disclosed |
| EP-0198192-A1 | 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them | BAYER AG (DE) | 1986-10-22 | — | — | EP | disclosed |