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 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 7/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
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 SCHEMBL2313424 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| Bicarbonate SCHEMBL2312555 | 0.96 | NPC1 (0.47) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL2309877 | 0.86 | DGAT1 (0.51) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL2312694 | 0.86 | DGAT1 (0.51) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL2309730 | 0.86 | DGAT1 (0.51) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL12430012 | 0.86 | DGAT1 (0.51) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| Bicarbonate SCHEMBL2311754 | 0.86 | DGAT1 (0.53) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL2306562 | 0.86 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL2308736 | 0.86 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL2308611 | 0.84 | KMT2A (0.47) | SMN1; SMN2NPC1RAB9ATP53TSHR |
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 |