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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 16/20 | 0.63 |
| ▸ | SOAT1 | P35610 | 11/20 | 0.63 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.45 |
| ▸ | FAAH | O00519 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3411351 | 0.91 | DGAT1 (0.78) | DGAT1SOAT1DGAT2EPHX2 | |
| Bicarbonate SCHEMBL3407048 | 0.90 | DGAT1 (0.65) | DGAT1SOAT1DGAT2EPHX2FAAH | |
| Bicarbonate SCHEMBL3413301 | 0.88 | DGAT1 (0.80) | DGAT1SOAT1DGAT2 | |
| Bicarbonate SCHEMBL3408700 | 0.85 | DGAT1 (0.70) | DGAT1SOAT1DGAT2 | |
| Bicarbonate SCHEMBL3409767 | 0.83 | DGAT1 (0.81) | DGAT1SOAT1DGAT2 | |
| SCHEMBL3407046 | 0.81 | DGAT1 (0.81) | DGAT1SOAT1EPHX2FAAH | |
| SCHEMBL3411379 | 0.81 | DGAT1 (0.81) | DGAT1SOAT1EPHX2FAAH | |
| SCHEMBL3411377 | 0.81 | DGAT1 (0.81) | DGAT1SOAT1EPHX2FAAH | |
| SCHEMBL3413196 | 0.80 | DGAT1 (0.76) | DGAT1SOAT1DGAT2EPHX2 | |
| SCHEMBL3413192 | 0.80 | DGAT1 (0.76) | DGAT1SOAT1DGAT2EPHX2 |
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-2041100-B1 | SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZ0L-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE | ASTRAZENECA AB (SE) | 2010-12-22 | — | — | EP | claimed |