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 | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 18/20 | 0.68 |
| ▸ | ESR1 | P03372 | 7/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6249037 | 0.91 | ESR2 (0.67) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL3811445 | 0.90 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1986271 | 0.90 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1865798 | 0.90 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL3809909 | 0.90 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| Bicarbonate SCHEMBL28445720 | 0.89 | DEGS1 (0.63) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8536046 | 0.87 | NPC1 (0.68) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL8999823 | 0.87 | NPC1 (0.68) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL14538339 | 0.86 | ESR2 (0.68) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL31574441 | 0.85 | ESR2 (0.74) | ESR2ESR1CYP3A4CYP2C9CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1597228-A2 | SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS | Sanofi-Aventis Deutschland GmbH (DE) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004072025-A2 | SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-08-26 | — | — | WO | disclosed |