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 | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.44 |
| ▸ | CSGALNACT1 | Q8TDX6 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 2/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 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 SCHEMBL2311438 | 0.96 | DGAT1 (0.45) | DGAT1CSGALNACT1CSF1RGSK3BTNIK | |
| SCHEMBL12428715 | 0.94 | DGAT1 (0.44) | DGAT1CSGALNACT1CSF1RGSK3BTNIK | |
| SCHEMBL1748285 | 0.86 | DGAT1 (0.61) | DGAT1CSGALNACT1 | |
| SCHEMBL1748284 | 0.86 | DGAT1 (0.61) | DGAT1CSGALNACT1 | |
| SCHEMBL1748286 | 0.86 | DGAT1 (0.61) | DGAT1CSGALNACT1 | |
| SCHEMBL2308744 | 0.86 | DGAT1 (0.49) | DGAT1CSGALNACT1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL2306530 | 0.86 | DGAT1 (0.49) | DGAT1CSGALNACT1RAB9AKMT2ASMN1; SMN2 | |
| Bicarbonate SCHEMBL2308912 | 0.85 | DGAT1 (0.58) | DGAT1CSF1RRAB9ANPC1KMT2A | |
| Bicarbonate SCHEMBL2309733 | 0.84 | NPC1 (0.57) | DGAT1CSGALNACT1RAB9ANPC1KMT2A | |
| Bicarbonate SCHEMBL2311617 | 0.82 | DGAT1 (0.51) | DGAT1CSGALNACT1CSF1RRAB9ANPC1 |
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 |