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 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | SCD | O00767 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 SCHEMBL2310107 | 0.96 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Bicarbonate SCHEMBL2310957 | 0.96 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2308903 | 0.87 | DGAT1 (0.55) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2308897 | 0.87 | DGAT1 (0.55) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2306376 | 0.85 | DGAT1 (0.60) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2307615 | 0.85 | DGAT1 (0.60) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Bicarbonate SCHEMBL2310949 | 0.85 | CASP3 (0.58) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2306382 | 0.85 | DGAT1 (0.60) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2309507 | 0.84 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL12314693 | 0.84 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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 |