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 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TNF | P01375 | 1/20 | 0.48 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.48 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.48 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 SCHEMBL2309733 | 0.96 | NPC1 (0.57) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| Bicarbonate SCHEMBL2308867 | 0.90 | DGAT1 (0.59) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| SCHEMBL1748068 | 0.87 | DGAT1 (0.63) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| SCHEMBL1747967 | 0.87 | DGAT1 (0.63) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| SCHEMBL1748067 | 0.87 | DGAT1 (0.63) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| Bicarbonate SCHEMBL2307791 | 0.85 | DGAT1 (0.61) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| Bicarbonate SCHEMBL2311438 | 0.85 | DGAT1 (0.45) | RAB9AMAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL2306777 | 0.84 | DGAT1 (0.51) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| SCHEMBL2309731 | 0.84 | DGAT1 (0.51) | NPC1RAB9AMAPTMEN1ALDH1A1 | |
| SCHEMBL12528763 | 0.84 | DGAT1 (0.51) | NPC1RAB9AMAPTMEN1ALDH1A1 |
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 |