Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Pyrogallol. 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 | 3/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | MMP2 | P08253 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | MMP9 | P14780 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MMP8 | P22894 | 2/20 | 0.52 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Pyrogallol SCHEMBL5366226 | 1.00 | TSHR (0.70) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| Catechol SCHEMBL7650516 | 0.89 | TSHR (0.80) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL27876060 | 0.87 | TRPA1 (0.61) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL125188 | 0.83 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL3409457 | 0.83 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL30307036 | 0.83 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL30812783 | 0.83 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| Benzene SCHEMBL9751882 | 0.83 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL30671620 | 0.83 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 | |
| SCHEMBL1079321 | 0.83 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951801-B1 | IONIZING RADIATION STABLE THERMOPLASTIC COMPOSITION, METHOD OF MAKING, AND ARTICLES FORMED THEREFROM | SABIC INNOVATIVE PLASTICS IP (NL) | 2013-01-02 | — | — | EP | disclosed |
| US-7812078-B2 | Blend of an uncappped polycarbonate and an arylcarboxylate-endcapped homo-or copolycarbonate that is prepared by interfacial polymerization of diol, activated carbonyl compound and an arylcarbonyl halide; decreased discoloration after exposure to gamma radiation | SABIC INNOVATIVE PLASTICS IP B.V. (NL) | 2010-10-12 | — | — | US | disclosed |
| EP-1951801-A2 | IONIZING RADIATION STABLE THERMOPLASTIC COMPOSITION, METHOD OF MAKING, AND ARTICLES FORMED THEREFROM | General Electric Company (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007053311-A2 | IONIZING RADIATION STABLE THERMOPLASTIC COMPOSITION, METHOD OF MAKING, AND ARTICLES FORMED THEREFROM | GENERAL ELECTRIC COMPANY (US) | 2007-05-10 | — | — | WO | disclosed |
| US-20070100038-A1 | Ionizing radiation stable thermoplastic composition, method of making, and articles formed therefrom | SABIC GLOBAL TECHNOLOGIES IP B.V. (NL) | 2007-05-03 | — | — | US | disclosed |