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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SMYD3 | Q9H7B4 | 7/20 | 0.47 |
| ▸ | HPGDS | O60760 | 10/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20229652 | 0.78 | ROCK2 (0.41) | NPC1LMNASMYD3HPGDSALDH1A1 | |
| SCHEMBL202921 | 0.77 | MGAM (0.43) | LMNAHPGDALDH1A1 | |
| SCHEMBL29692174 | 0.77 | MGAM (0.43) | LMNAHPGDALDH1A1 | |
| SCHEMBL2301680 | 0.76 | HPGDS (0.44) | NPC1HPGDS | |
| SCHEMBL198340 | 0.74 | GPR132 (0.36) | NPC1LMNAHPGDSHPGDALDH1A1 | |
| SCHEMBL298606 | 0.73 | HPGDS (0.52) | SMYD3HPGDS | |
| SCHEMBL2656961 | 0.73 | NPC1 (0.59) | NPC1LMNASMYD3HPGDALDH1A1 | |
| SCHEMBL2301543 | 0.72 | MAPK1 (0.43) | LMNAHPGDS | |
| SCHEMBL29424854 | 0.72 | MAPK1 (0.43) | LMNAHPGDS | |
| SCHEMBL5616823 | 0.72 | NPC1 (0.58) | NPC1LMNASMYD3HPGDS |
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-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |