Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Gentisic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.61 |
| ▸ | CA2 | P00918 | 6/20 | 0.61 |
| ▸ | CA12 | O43570 | 5/20 | 0.61 |
| ▸ | CA7 | P43166 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 5/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GUSB | P08236 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Gentisic Acid SCHEMBL1457617 | 1.00 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL10984737 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL344388 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL10980546 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL8921890 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL1115092 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL7261031 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL453133 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL3981502 | 0.95 | CA12 (0.61) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL10407884 | 0.95 | CA1 (0.61) | CA1CA2CA12CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11441105-B2 | Composition containing lanthanide metal complex | RHODIA OPERATIONS | 2022-09-13 | — | — | US | disclosed |