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 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
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 SCHEMBL2311872 | 0.99 | HDAC6 (0.47) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL2310498 | 0.97 | HDAC6 (0.48) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL2309633 | 0.92 | HDAC6 (0.55) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL2307865 | 0.91 | HDAC6 (0.54) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL2309955 | 0.89 | HDAC6 (0.46) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL2311869 | 0.88 | HDAC6 (0.46) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL2396165 | 0.88 | HDAC6 (0.46) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL2308378 | 0.88 | HDAC6 (0.46) | HDAC6MAPTNPC1ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL2309024 | 0.88 | RAB9A (0.43) | HDAC6MAPTALDH1A1RAB9ASMN1; SMN2 | |
| Bicarbonate SCHEMBL2308696 | 0.88 | CTSL (0.45) | HDAC6CSF1RDGAT1GABRPGABRD |
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 |