Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27454839 | 0.81 | TRPA1 (0.46) | IDO1NOS3NOS1NOS2TRPA1 | |
| Water SCHEMBL16321625 | 0.76 | ALDH1A1 (0.41) | IDO1NOS3NOS1NOS2TRPA1 | |
| SCHEMBL10585977 | 0.76 | NPSR1 (0.47) | IDO1NOS3NOS1NOS2TRPA1 | |
| SCHEMBL7359781 | 0.74 | EPHX1 (0.44) | IDO1NOS3NOS1NOS2CA12 | |
| SCHEMBL5069636 | 0.74 | ACE (0.39) | TSHRIDO1NOS3NOS1NOS2 | |
| SCHEMBL6831682 | 0.74 | TRPA1 (0.55) | TSHRIDO1NOS3NOS1NOS2 | |
| SCHEMBL14284904 | 0.74 | TRPA1 (0.50) | TSHRIDO1NOS3NOS1NOS2 | |
| SCHEMBL3294142 | 0.72 | PPARG (0.47) | IDO1NPSR1CYP2C19PPARGPPARA | |
| SCHEMBL14031967 | 0.72 | CYP2C19 (0.42) | TSHRIDO1NOS3NOS1NOS2 | |
| SCHEMBL9855215 | 0.71 | IDO1 (0.40) | TSHRIDO1NOS3NOS1NOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0310944-B1 | BISOXETHYLSULFONYLMETHYL ANILINES AND PROCESS FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-01-13 | — | — | EP | disclosed |
| EP-0310944-A2 | Bisoxethylsulfonylmethyl anilines and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-12 | — | — | EP | disclosed |