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 | 0.65 |
| ▸ | SCD | O00767 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 3/20 | 0.45 |
| ▸ | DHODH | Q02127 | 6/20 | 0.45 |
| ▸ | RORC | P51449 | 5/20 | 0.45 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 SCHEMBL2309476 | 0.98 | DGAT1 (0.63) | DGAT1SCDNPC1RAB9APOLB | |
| Bicarbonate SCHEMBL2311036 | 0.96 | DGAT1 (0.62) | DGAT1SCDNPC1RAB9APOLB | |
| SCHEMBL2309473 | 0.89 | DGAT1 (0.82) | DGAT1SCDNPC1RAB9APOLB | |
| SCHEMBL2307191 | 0.89 | DGAT1 (0.82) | DGAT1SCDNPC1RAB9APOLB | |
| SCHEMBL2396211 | 0.89 | DGAT1 (0.82) | DGAT1SCDNPC1RAB9APOLB | |
| Bicarbonate SCHEMBL2314526 | 0.88 | DGAT1 (0.67) | DGAT1NPC1RAB9APOLBABL1 | |
| Bicarbonate SCHEMBL2311510 | 0.88 | DGAT1 (0.77) | DGAT1NPC1RAB9AABL1KDM4E | |
| Bicarbonate SCHEMBL2309088 | 0.87 | DGAT1 (0.66) | DGAT1NPC1RAB9AABL1ALDH1A1 | |
| SCHEMBL2306957 | 0.87 | DGAT1 (0.76) | DGAT1SCDNPC1RAB9APOLB | |
| SCHEMBL2306962 | 0.87 | DGAT1 (0.76) | DGAT1SCDNPC1RAB9APOLB |
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 |