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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 5/20 | 0.47 |
| ▸ | MAOB | P27338 | 5/20 | 0.47 |
| ▸ | TGM2 | P21980 | 5/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 4/20 | 0.43 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 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 SCHEMBL1768040 | 0.94 | MAOA (0.45) | MAOAMAOBTGM2CES1SMYD3 | |
| SCHEMBL1768001 | 0.94 | TGM2 (0.53) | MAOAMAOBTGM2CES1CA12 | |
| SCHEMBL9097437 | 0.87 | EPHX2 (0.53) | MAOAMAOBTGM2CES1SMYD3 | |
| SCHEMBL9098040 | 0.86 | EPHX2 (0.55) | MAOAMAOBTGM2CES1SMYD3 | |
| SCHEMBL9053949 | 0.86 | EPHX2 (0.55) | MAOAMAOBTGM2CES1SMYD3 | |
| Formic Acid SCHEMBL27886080 | 0.84 | TGM2 (0.44) | MAOAMAOBTGM2CES1SMYD3 | |
| SCHEMBL9389080 | 0.76 | EPHX2 (0.78) | MAOAMAOBTGM2CES1CASP3 | |
| SCHEMBL29631093 | 0.71 | SMYD3 (0.56) | MAOAMAOBTGM2CES1SMYD3 | |
| SCHEMBL1050601 | 0.71 | SMYD3 (0.56) | MAOAMAOBTGM2CES1SMYD3 | |
| SCHEMBL23948375 | 0.71 | MAOA (0.43) | MAOAMAOBTGM2CES1CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504314-B1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-08-05 | — | — | EP | disclosed |
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |