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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.46 |
| ▸ | CPA3 | P15088 | 2/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.46 |
| ▸ | CPB1 | P15086 | 1/20 | 0.46 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL122307 | 0.94 | TRPA1 (0.54) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| SCHEMBL2904622 | 0.94 | TRPA1 (0.54) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| SCHEMBL5878109 | 0.94 | TRPA1 (0.54) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| SCHEMBL16269804 | 0.94 | TRPA1 (0.54) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| SCHEMBL4163177 | 0.94 | TRPA1 (0.54) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| Methacrylic Acid SCHEMBL28459895 | 0.86 | TRPA1 (0.44) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| SCHEMBL108646 | 0.84 | TRPA1 (0.58) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| SCHEMBL27589642 | 0.83 | ALDH1A1 (0.48) | MDM2NPC1RAB9A | |
| SCHEMBL537721 | 0.81 | TRPA1 (0.50) | CYP1A2TRPA1ALPIPKMPTGS1 | |
| SCHEMBL3418072 | 0.81 | TRPA1 (0.50) | CYP1A2TRPA1ALPIPKMPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9260564-B2 | Catalyst for non-isocyanate based polyurethane | DOW GLOBAL TECHNOLOGIES LLC (US) | 2016-02-16 | — | — | US | disclosed |
| US-20150247004-A1 | Catalyst for Non-Isocyanate Based Polyurethane | DOW GLOBAL TECHNOLOGIES LLC | 2015-09-03 | — | — | US | disclosed |