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 | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | IL6 | P05231 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 SCHEMBL2309633 | 0.99 | HDAC6 (0.55) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| Bicarbonate SCHEMBL2311872 | 0.92 | HDAC6 (0.47) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| Bicarbonate SCHEMBL2312892 | 0.91 | HDAC6 (0.47) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| SCHEMBL2310498 | 0.90 | HDAC6 (0.48) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| Bicarbonate SCHEMBL2309955 | 0.88 | HDAC6 (0.46) | HDAC6DGAT1HDAC3HDAC1HDAC8 | |
| SCHEMBL1748114 | 0.87 | HDAC6 (0.53) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| SCHEMBL1748113 | 0.87 | HDAC6 (0.53) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| SCHEMBL1748115 | 0.87 | HDAC6 (0.53) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| SCHEMBL6031677 | 0.87 | HDAC6 (0.53) | HDAC6ROCK1DGAT1HDAC3HDAC1 | |
| Bicarbonate SCHEMBL2309400 | 0.87 | HDAC6 (0.47) | HDAC6DGAT1HDAC3HDAC1HDAC8 |
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 |