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 | 0.60 |
| ▸ | CSGALNACT1 | Q8TDX6 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TNF | P01375 | 2/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.52 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.52 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.52 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3390923 | 0.83 | DGAT1 (0.54) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL1761493 | 0.83 | DGAT1 (0.61) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| Bicarbonate SCHEMBL3390988 | 0.82 | DGAT1 (0.65) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| Bicarbonate SCHEMBL2307791 | 0.82 | DGAT1 (0.61) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL3128570 | 0.82 | DGAT1 (0.69) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL3391081 | 0.82 | DGAT1 (0.53) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL3391083 | 0.81 | DGAT1 (0.52) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL1761949 | 0.81 | DGAT1 (0.68) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| Bicarbonate SCHEMBL3392042 | 0.81 | DGAT1 (0.62) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL3387754 | 0.80 | DGAT1 (0.66) | DGAT1CSGALNACT1SMN1; SMN2MAPTNPC1 |
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-1805156-B1 | PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER HEALTHCARE LLC (US) | 2010-12-22 | — | — | EP | claimed |