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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.42 |
| ▸ | SKP1 | P63208 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL117269 | 0.97 | BTK (0.51) | BTKKDM1AMAOBGAANFKB1 | |
| SCHEMBL8220153 | 0.90 | BTK (0.54) | BTKKDM1AMAOBGAANFKB1 | |
| SCHEMBL720530 | 0.88 | CTSK (0.50) | BTKKDM1AMAOBGAANFKB1 | |
| SCHEMBL8320677 | 0.88 | CTSK (0.50) | BTKKDM1AMAOBGAANFKB1 | |
| SCHEMBL720531 | 0.88 | CTSK (0.50) | BTKKDM1AMAOBGAANFKB1 | |
| Ammonia Solution, Strong SCHEMBL28630271 | 0.88 | BTK (0.51) | BTKKDM1AMAOBGAANFKB1 | |
| Bicarbonate SCHEMBL187492 | 0.86 | BTK (0.62) | BTKKDM1AMAOBGAANFKB1 | |
| SCHEMBL26135662 | 0.83 | BTK (0.51) | BTKKDM1AMAOBGAANFKB1 | |
| SCHEMBL28310040 | 0.83 | BTK (0.49) | BTKKDM1AMAOBGAANFKB1 | |
| Bicarbonate SCHEMBL486564 | 0.82 | BTK (0.73) | BTKKDM1AMAOBGAANFKB1 |
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-2245026-B1 | SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION | BOEHRINGER INGELHEIM INT (DE) | 2012-08-01 | — | — | EP | disclosed |
| EP-2245026-A1 | SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION | Boehringer Ingelheim International GmbH (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009098061-A1 | SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-13 | — | — | WO | disclosed |