Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Gallic Acid. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.62 |
| ▸ | CA2 | P00918 | 6/20 | 0.62 |
| ▸ | CA12 | O43570 | 4/20 | 0.62 |
| ▸ | CA7 | P43166 | 4/20 | 0.62 |
| ▸ | CA9 | Q16790 | 4/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | FUT7 | Q11130 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | XDH | P47989 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | GFER | P55789 | 1/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.61 |
| ▸ | RELA | Q04206 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Gallic Acid SCHEMBL23924977 | 0.97 | CA1 (0.67) | CA1CA2CA12CA7CA9 | |
| Gallic Acid Methyl Ester SCHEMBL10713441 | 0.85 | KDM4E (0.84) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL2357971 | 0.83 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| Gallic Acid SCHEMBL16110893 | 0.82 | CA2 (0.63) | CA1CA2CA12CA7CA9 | |
| Gallic Acid SCHEMBL5011532 | 0.81 | CA2 (0.74) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL28150401 | 0.81 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL3069841 | 0.79 | CA1 (0.91) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL4440 | 0.79 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL321534 | 0.79 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| SCHEMBL12948036 | 0.79 | GAA (0.67) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2014160686-A1 | SOLID FORMS COMPRISING 3-(4-AMINO-1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PIPERIDINE-2,6-DIONE AND A COFORMER, COMPOSITIONS AND METHODS OF USE THEREOF | CELGENE CORPORATION (US) | 2014-10-02 | — | — | WO | disclosed |