Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Guaiacol. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Guaiacol SCHEMBL4089861 | 0.87 | CA1 (0.69) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL3361883 | 0.87 | CA1 (0.69) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL21542 | 0.86 | CA1 (0.82) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL4221098 | 0.86 | TSHR (0.62) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL11482294 | 0.85 | TSHR (0.67) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL27349856 | 0.84 | TSHR (0.78) | TSHRTP53CA1CA2LMNA | |
| Guaiacol SCHEMBL5665553 | 0.84 | CA1 (0.78) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL11574553 | 0.84 | CA1 (0.95) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL27937887 | 0.84 | CA1 (0.95) | TSHRTP53CA1CA2POLB | |
| Guaiacol SCHEMBL10856965 | 0.82 | CA1 (0.75) | TSHRTP53CA1CA2POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1827597-A | Process for preparing 1-methyl-5-p-toluoylpyrroel-2-acetamidoacetic acid guaiacyl ester | ANHUI QINGYUN PHARMACEUTICAL A (CN) | 2006-09-06 | — | — | CN | disclosed |