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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.58 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | LCK | P06239 | 1/20 | 0.56 |
| ▸ | PPARD | Q03181 | 1/20 | 0.56 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.56 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
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 SCHEMBL7175377 | 1.00 | GPR84 (0.58) | GPR84FFAR1ACE2MAPTLCK | |
| Acetic Acid SCHEMBL28089818 | 0.93 | GPR84 (0.56) | GPR84FFAR1ACE2MAPTLCK | |
| Acetic Acid SCHEMBL29875221 | 0.93 | GPR84 (0.56) | GPR84FFAR1ACE2MAPTLCK | |
| Acetic Acid SCHEMBL7067282 | 0.93 | GPR84 (0.56) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL28168228 | 0.91 | GPR84 (0.59) | GPR84FFAR1ACE2MAPTLCK | |
| Acetone SCHEMBL28030311 | 0.90 | GPR84 (0.52) | GPR84FFAR1ACE2MAPTLCK | |
| Acetic Acid SCHEMBL633845 | 0.90 | GPR84 (0.52) | GPR84FFAR1ACE2MAPTLCK | |
| Bicarbonate SCHEMBL19582709 | 0.90 | CA2 (0.52) | GPR84FFAR1ACE2MAPTLCK | |
| Bicarbonate SCHEMBL8576736 | 0.90 | CA2 (0.52) | GPR84FFAR1ACE2MAPTLCK | |
| Acetone SCHEMBL4622209 | 0.87 | CA1 (0.54) | GPR84FFAR1ACE2MAPTLCK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120288950-A1 | FLUORESCENT ORGANIC NANOFIBRILS AS SENSORY MATERIALS FOR EXPLOSIVES DETECTION | SOUTHERN ILLINOIS UNIVERSITY | 2012-11-15 | — | — | US | disclosed |
| US-8153065-B2 | Flourescent organic nanofibrils based on arylene-ethylene macrocycles as sensory materials for explosives detection | SOUTHERN ILLINOIS UNIVERSITY (US) | 2012-04-10 | — | — | US | disclosed |
| US-20090233374-A1 | Flourescent organic nanofibrils as sensory materials for explosives detection | NATIONAL SCIENCE FOUNDATION | 2009-09-17 | — | — | US | disclosed |