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 | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1557243 | 0.95 | TRPA1 (0.52) | TRPA1NFE2L2HDAC1LMNAHDAC3 | |
| SCHEMBL11882514 | 0.95 | TRPA1 (0.52) | TRPA1NFE2L2HDAC1LMNAHDAC3 | |
| SCHEMBL29725577 | 0.95 | TRPA1 (0.52) | TRPA1NFE2L2HDAC1LMNAHDAC3 | |
| SCHEMBL4207529 | 0.95 | TRPA1 (0.52) | TRPA1NFE2L2HDAC1LMNAHDAC3 | |
| SCHEMBL28019442 | 0.93 | TRPA1 (0.50) | TRPA1NFE2L2HDAC1LMNAHDAC3 | |
| Ammonia Solution, Strong SCHEMBL27722454 | 0.93 | TRPA1 (0.50) | TRPA1NFE2L2HDAC1LMNAHDAC3 | |
| SCHEMBL9162326 | 0.89 | TRPA1 (0.44) | TRPA1NFE2L2CYP2D6TDP1 | |
| SCHEMBL14417984 | 0.88 | TRPA1 (0.46) | TRPA1NFE2L2HDAC1LMNAHDAC2 | |
| SCHEMBL2754803 | 0.88 | TRPA1 (0.46) | TRPA1NFE2L2HDAC1LMNAHDAC2 | |
| Isothiocyanate SCHEMBL9212863 | 0.85 | TRPA1 (0.43) | TRPA1NFE2L2LMNATDP1PPARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-1450810-A4 | XANTHINE OXIDASE INHIBITION | UAB RESEARCH FOUNDATION (US) | 2005-11-30 | — | — | EP | disclosed |
| EP-1450810-A2 | XANTHINE OXIDASE INHIBITION | THE UAB RESEARCH FOUNDATION (US) | 2004-09-01 | — | — | EP | disclosed |
| US-20030158213-A1 | Xanthine oxidase inhibition as a strategy to alleviate oxidative impairment of vascular function | THE UAB RESEARCH FOUNDATION | 2003-08-21 | — | — | US | disclosed |
| WO-2003043573-A2 | XANTHINE OXIDASE INHIBITION | THE UAB RESEARCH FOUNDATION (US) | 2003-05-30 | — | — | WO | disclosed |