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 | 2/20 | 0.47 |
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | DDX3X | O00571 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.47 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.47 |
| ▸ | PLK4 | O00444 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2309237 | 0.85 | CYP1A2 (0.58) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL2310394 | 0.85 | CYP1A2 (0.58) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL2310397 | 0.85 | CYP1A2 (0.58) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| Bicarbonate SCHEMBL2310230 | 0.85 | NPC1 (0.52) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| Bicarbonate SCHEMBL2306960 | 0.84 | HDAC11 (0.49) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| Bicarbonate SCHEMBL2307781 | 0.83 | P2RY14 (0.42) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| Bicarbonate SCHEMBL2313113 | 0.83 | RAB9A (0.47) | SMN1; SMN2NPC1RAB9APOLBMEN1 | |
| SCHEMBL12430197 | 0.82 | HDAC11 (0.51) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL3767781 | 0.78 | AKR1C3 (0.73) | SMN1; SMN2NPC1RAB9APOLBAKR1C3 | |
| Bicarbonate SCHEMBL2310107 | 0.76 | NPC1 (0.53) | SMN1; SMN2NPC1RAB9APOLBCYP1A2 |
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 |