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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.49 |
| ▸ | RAB9A | P51151 | 10/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | SCD | O00767 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 SCHEMBL2308957 | 0.93 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| Bicarbonate SCHEMBL2309768 | 0.92 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| Bicarbonate SCHEMBL2314895 | 0.91 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| Bicarbonate SCHEMBL2357944 | 0.89 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| SCHEMBL2310842 | 0.87 | DGAT1 (0.55) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| SCHEMBL2309966 | 0.87 | DGAT1 (0.55) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| SCHEMBL2309544 | 0.87 | DGAT1 (0.55) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| Bicarbonate SCHEMBL2311617 | 0.85 | DGAT1 (0.51) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| Bicarbonate SCHEMBL2307044 | 0.85 | CSF1R (0.44) | MAPTKMT2AKDM4EHTTRAF1 | |
| Bicarbonate SCHEMBL2314968 | 0.84 | DGAT1 (0.44) | NPC1RAB9AALDH1A1MAPK1 |
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 |