Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10021886 | 0.83 | PTPN1 (0.39) | PTPN1TSHRSMN1; SMN2HSD11B1GPR3 | |
| SCHEMBL776744 | 0.74 | ALDH1A1 (0.35) | TSHRNR1H3ALDH1A1 | |
| SCHEMBL775604 | 0.71 | NR1H2 (0.32) | TSHRNR1H3ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL759937 | 0.71 | PTPN1 (0.41) | PTPN1TSHRSMN1; SMN2HSD11B1GPR3 | |
| SCHEMBL1360857 | 0.70 | CA2 (0.38) | PTPN1CA1CA2NR1H3 | |
| Potassium SCHEMBL3961443 | 0.70 | PTPN1 (0.33) | PTPN1GPR3 | |
| SCHEMBL3961442 | 0.70 | PTPN1 (0.33) | PTPN1GPR3 | |
| SCHEMBL776303 | 0.69 | ALDH1A1 (0.31) | TSHRALDH1A1 | |
| SCHEMBL775157 | 0.69 | TSHR (0.38) | PTPN1TSHRCES1ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3249775 | 0.69 | GPR3 (0.44) | PTPN1TSHRSMN1; SMN2HSD11B1GPR3 |
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-2008009815-A2 | METHOD FOR PREPARING AROMATIC SULFONATES | INSTITUT NATIONAL POLYTECHNIQUE DE GRENOBLE (FR) | 2008-01-24 | — | — | WO | disclosed |