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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.58 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL4372923 | 1.00 | PPARA (0.61) | PPARAPTGS2KAT8CYP3A4NPC1 | |
| SCHEMBL5790509 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL28797794 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL5789723 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL5788838 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL28797776 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL5790435 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL5788482 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL28946092 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL13765878 | 0.92 | PTGS2 (0.67) | PPARAPTGS2CYP3A4NPC1HPGD |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1816001-B1 | INK-JET RECORDING MEDIUM AND METHOD FOR PRODUCTION THEREOF | CANON KK (JP) | 2012-06-13 | — | — | EP | disclosed |
| US-7625614-B2 | Article, ink recording medium, ink-jet recording medium and production process thereof | CANON KABUSHIKI KAISHA (JP) | 2009-12-01 | — | — | US | disclosed |
| EP-1816001-A1 | ARTICLE, INK RECORDING MEDIUM, RECORDING MEDIUM FOR INK-JET AND METHOD FOR PRODUCTION THEREOF | Canon Kabushiki Kaisha (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-20060188671-A1 | Article, ink recording medium, ink-jet recording medium and production process thereof | CANON KABUSHIKI KAISHA (JP) | 2006-08-24 | — | — | US | disclosed |
| EP-1123915-B1 | Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process | NIPPON CATALYTIC CHEM IND (JP) | 2004-07-28 | — | — | EP | disclosed |
| US-6541656-B2 | Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound | NIPPON SHOKUBAI COMPANY, LTD. (JP) | 2003-04-01 | — | — | US | disclosed |
| US-20010034300-A1 | Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound | NIPPON SHOKUBAI COMPANY LTD. (JP) | 2001-10-25 | — | — | US | disclosed |
| EP-1123915-A1 | Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process | Nippon Shokubai Co., Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |
| EP-0661341-A1 | Filled polypropylene composition containing zinc salts of fatty acids | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-07-05 | — | — | EP | disclosed |