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 | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 3/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.40 |
| ▸ | GALK1 | P51570 | 5/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
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 SCHEMBL2308797 | 0.93 | DGAT1 (0.49) | DGAT1ITGB1ITGA4HCRTR1CTSL | |
| Bicarbonate SCHEMBL2311135 | 0.91 | DGAT1 (0.44) | DGAT1GALK1CSF1RHDAC6PIK3CA | |
| Bicarbonate SCHEMBL2308538 | 0.91 | DGAT1 (0.44) | DGAT1ITGB1ITGA4HCRTR1GALK1 | |
| Bicarbonate SCHEMBL2314686 | 0.89 | DGAT1 (0.46) | DGAT1HCRTR1HDAC6MEN1KMT2A | |
| Bicarbonate SCHEMBL2308696 | 0.89 | CTSL (0.45) | DGAT1ITGB1ITGA4HCRTR1GALK1 | |
| SCHEMBL2309693 | 0.87 | DGAT1 (0.67) | DGAT1ITGB1ITGA4HCRTR1 | |
| Bicarbonate SCHEMBL2359226 | 0.85 | DGAT1 (0.42) | DGAT1CSF1RHDAC6PIK3CAKMT2A | |
| Bicarbonate SCHEMBL2308864 | 0.84 | DGAT1 (0.41) | DGAT1HDAC6PIK3CAMEN1KMT2A | |
| Bicarbonate SCHEMBL2309400 | 0.81 | HDAC6 (0.47) | DGAT1HCRTR1CTSLCTSSCSF1R | |
| SCHEMBL12266267 | 0.80 | DGAT1 (0.54) | DGAT1 |
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-1633722-B1 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER HEALTHCARE LLC (US) | 2011-08-03 | — | — | EP | claimed |