Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL357875 | 0.88 | TSHR (0.61) | TSHRRORCHSP90AA1HSP90AB1GABRA1 | |
| SCHEMBL24620116 | 0.81 | TSHR (0.55) | TSHRRORCCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL358963 | 0.80 | ALDH1A1 (0.52) | TSHRALDH1A1TDP1GABRA1CA2 | |
| SCHEMBL29747171 | 0.80 | ALDH1A1 (0.52) | TSHRALDH1A1TDP1GABRA1CA2 | |
| SCHEMBL10553075 | 0.75 | CA2 (0.55) | TSHRRORCCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL1042165 | 0.73 | TSHR (0.47) | TSHRRORCCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL3627333 | 0.73 | TSHR (0.59) | TSHRRORCCYP3A4GABRA1GABRB2 | |
| SCHEMBL9838740 | 0.73 | TSHR (0.59) | TSHRRORCGABRA1GABRB2HTT | |
| SCHEMBL21419965 | 0.73 | TSHR (0.50) | TSHRRORCGABRA1TRPA1GABRB2 | |
| SCHEMBL23219814 | 0.71 | TSHR (0.48) | TSHRRORCHSP90AA1HSP90AB1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1547995-A1 | Process for the preparation of carboxylic acid esters | Sumitomo Chemical Company, Limited (JP) | 2005-06-29 | — | — | EP | disclosed |