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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 4/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | PPP5C | P53041 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27915053 | 0.90 | NPC1 (0.48) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| SCHEMBL6378525 | 0.90 | NPC1 (0.48) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| SCHEMBL6379896 | 0.90 | NPC1 (0.48) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| SCHEMBL11940413 | 0.90 | NPC1 (0.48) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| SCHEMBL192534 | 0.90 | NPC1 (0.48) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| SCHEMBL9128366 | 0.90 | NPC1 (0.48) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| Bicarbonate SCHEMBL11159896 | 0.88 | NAAA (0.44) | NAAAEPHX1NPC1ALDH1A1HTT | |
| SCHEMBL191351 | 0.88 | NPC1 (0.45) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| Ethylene Glycol SCHEMBL27967552 | 0.86 | TSHR (0.45) | NAAAEPHX1NPC1EPHX2ALDH1A1 | |
| Cyclohexanol SCHEMBL28733967 | 0.85 | NAAA (0.42) | NAAAEPHX1NPC1EPHX2ALDH1A1 |
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 |