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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | DPP4 | P27487 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.58 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.58 |
| ▸ | CTSL | P07711 | 1/20 | 0.57 |
| ▸ | CTSB | P07858 | 1/20 | 0.57 |
| ▸ | CTSK | P43235 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8393719 | 0.98 | EPHX1 (0.84) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL1424064 | 0.98 | EPHX1 (0.84) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL7198149 | 0.97 | EPHX1 (0.81) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| Methyl Alcohol SCHEMBL6780968 | 0.95 | EPHX1 (0.80) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL579215 | 0.95 | EPHX1 (0.74) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| Dimethylamine SCHEMBL8326428 | 0.94 | EPHX1 (0.78) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL14612363 | 0.94 | EPHX1 (0.78) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 | 0.94 | EPHX1 (0.76) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL3948456 | 0.91 | ALDH1A1 (0.85) | EPHX1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL381922 | 0.91 | ALDH1A1 (0.85) | EPHX1ALDH1A1GAAMEN1KMT2A |
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-1377589-B1 | OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS | PHARMACIA ITALIA SPA (IT) | 2005-09-07 | — | — | EP | claimed |