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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 11/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15226075 | 0.97 | EPHX1 (0.55) | EPHX1NPSR1HSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL14919674 | 0.88 | DRD2 (0.50) | EPHX1HSD11B1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL16710276 | 0.85 | EPHX1 (0.54) | EPHX1NPSR1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2226733 | 0.82 | GAA (0.55) | EPHX1HSD11B1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL15678712 | 0.81 | SMN1; SMN2 (0.42) | EPHX1HSD11B1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL15678709 | 0.81 | SMN1; SMN2 (0.42) | EPHX1HSD11B1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5324943 | 0.81 | EPHX1 (0.50) | EPHX1NPSR1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL643094 | 0.80 | EPHX1 (0.48) | EPHX1HSD11B1SMN1; SMN2DRD2 | |
| SCHEMBL2105464 | 0.80 | DRD2 (0.46) | EPHX1HSD11B1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL1693612 | 0.80 | SMYD3 (0.49) | EPHX1HSD11B1RAB9ASMN1; SMN2ALDH1A1 |
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-1616859-B1 | Substituted cyclohexyl carboxylic acid compounds | SEIKAGAKU KOGYO CO LTD (JP) | 2013-09-04 | — | — | EP | claimed |