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 | 4/20 | 0.61 |
| ▸ | CSGALNACT1 | Q8TDX6 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 7/20 | 0.55 |
| ▸ | RAB9A | P51151 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | TNF | P01375 | 1/20 | 0.51 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.51 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
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 SCHEMBL2311617 | 0.92 | DGAT1 (0.51) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| Bicarbonate SCHEMBL2306725 | 0.89 | DGAT1 (0.48) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| Bicarbonate SCHEMBL2311510 | 0.89 | DGAT1 (0.77) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| Bicarbonate SCHEMBL2311087 | 0.88 | CASP3 (0.54) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| Bicarbonate SCHEMBL2307198 | 0.87 | CSNK1D (0.53) | DGAT1CSGALNACT1NPC1RAB9ALMNA | |
| Bicarbonate SCHEMBL2307249 | 0.87 | CASP3 (0.53) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2307331 | 0.86 | DGAT1 (0.80) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12430212 | 0.86 | DGAT1 (0.80) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2310427 | 0.86 | DGAT1 (0.80) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 | |
| Bicarbonate SCHEMBL3392042 | 0.86 | DGAT1 (0.62) | DGAT1CSGALNACT1NPC1RAB9ASMN1; SMN2 |
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 |