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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | CXCR6 | O00574 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL486258 | 0.98 | MAOB (0.52) | MAOBNPC1CXCR6RAB9AALOX5 | |
| Formic Acid SCHEMBL27693254 | 0.94 | MAOB (0.48) | MAOBNPC1CXCR6RAB9AALOX5 | |
| SCHEMBL486027 | 0.84 | MAOB (0.50) | MAOBNPC1CXCR6RAB9AALOX5 | |
| Bicarbonate SCHEMBL485659 | 0.83 | ALOX5 (0.48) | MAOBNPC1CXCR6RAB9AALOX5 | |
| SCHEMBL485598 | 0.82 | MAOB (0.53) | MAOBNPC1CXCR6RAB9AALOX5 | |
| Formic Acid SCHEMBL27693206 | 0.81 | MAOB (0.47) | MAOBNPC1CXCR6RAB9AALOX5 | |
| SCHEMBL486121 | 0.81 | MAOB (0.47) | MAOBNPC1CXCR6RAB9AALOX5 | |
| SCHEMBL485827 | 0.80 | MAOB (0.47) | MAOBNPC1CXCR6RAB9AALOX5 | |
| SCHEMBL485445 | 0.80 | NPC1 (0.46) | NPC1RAB9AALOX5EPHX2SMN1; SMN2 | |
| SCHEMBL485800 | 0.79 | KMT2A (0.49) | MAOBNPC1CXCR6RAB9AALOX5 |
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-1836158-B1 | FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION | SANOFI AVENTIS DEUTSCHLAND (DE) | 2012-02-01 | — | — | EP | claimed |