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 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | CSF1R | P07333 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 SCHEMBL2311924 | 0.87 | DGAT1 (0.53) | KMT2ANPC1RAB9AMEN1CSF1R | |
| SCHEMBL2311803 | 0.86 | DGAT1 (0.52) | KMT2ANPC1RAB9AMEN1KDM4E | |
| SCHEMBL2310871 | 0.86 | DGAT1 (0.52) | KMT2ANPC1RAB9AMEN1KDM4E | |
| SCHEMBL2307216 | 0.86 | DGAT1 (0.52) | KMT2ANPC1RAB9AMEN1KDM4E | |
| Bicarbonate SCHEMBL2314968 | 0.85 | DGAT1 (0.44) | NPC1RAB9ACSF1RLCKCCNA2 | |
| Bicarbonate SCHEMBL2306725 | 0.85 | DGAT1 (0.48) | KMT2ANPC1RAB9AMEN1CSF1R | |
| Bicarbonate SCHEMBL2311438 | 0.82 | DGAT1 (0.45) | KMT2ARAB9AMEN1CSF1RMAPT | |
| SCHEMBL12428715 | 0.80 | DGAT1 (0.44) | KMT2ANPC1RAB9AMEN1CSF1R | |
| Bicarbonate SCHEMBL2310107 | 0.79 | NPC1 (0.53) | KMT2ANPC1RAB9AMEN1CSF1R | |
| Bicarbonate SCHEMBL2312696 | 0.78 | SMN1; SMN2 (0.48) | KMT2ANPC1RAB9AMEN1CSF1R |
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 |