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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.87 |
| ▸ | NPC1 | O15118 | 7/20 | 0.87 |
| ▸ | MAPT | P10636 | 6/20 | 0.87 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.87 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.87 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.87 |
| ▸ | TP53 | P04637 | 3/20 | 0.87 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.87 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.87 |
| ▸ | MEN1 | O00255 | 2/20 | 0.87 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.87 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21817022 | 0.93 | RAB9A (1.00) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL42716 | 0.93 | RAB9A (1.00) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL29350835 | 0.93 | RAB9A (1.00) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL7791036 | 0.92 | RAB9A (0.96) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| Methane SCHEMBL725576 | 0.92 | RAB9A (0.96) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL9513625 | 0.92 | RAB9A (0.96) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| Ethyne SCHEMBL6237008 | 0.90 | RAB9A (0.93) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| Cyanide SCHEMBL8518292 | 0.89 | RAB9A (0.90) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL349452 | 0.86 | NPC1 (0.79) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL13356685 | 0.84 | KMT2A (0.67) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274728-B1 | ESTERIFIED DYE | CIBA SPECIALTY CHEMICALS CORP. | 2001-08-14 | — | — | US | disclosed |
| EP-0968250-B1 | SOLUBLE CHROMOPHORES HAVING IMPROVED SOLUBILISING GROUPS | CIBA SC HOLDING AG (CH) | 2001-04-18 | — | — | EP | disclosed |
| EP-0968250-A1 | SOLUBLE CHROMOPHORES HAVING IMPROVED SOLUBILISING GROUPS | Ciba SC Holding AG (CH) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998032802-A1 | SOLUBLE CHROMOPHORES HAVING IMPROVED SOLUBILISING GROUPS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1998-07-30 | — | — | WO | disclosed |