Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11227939 | 0.85 | SMN1; SMN2 (0.34) | CA12CA9CA7CA14 | |
| SCHEMBL11230401 | 0.81 | CPB2 (0.37) | CA12CA1CA2CA9 | |
| SCHEMBL11222761 | 0.79 | LMNA (0.33) | TSHR | |
| SCHEMBL11233354 | 0.78 | CA12 (0.33) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL6437107 | 0.78 | TSHR (0.42) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL18502989 | 0.78 | TSHR (0.42) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL18502991 | 0.78 | TSHR (0.42) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL11238256 | 0.76 | ALDH1A1 (0.40) | TSHR | |
| Hydrochloric Acid SCHEMBL19603131 | 0.76 | TSHR (0.40) | TSHRCA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL19603120 | 0.76 | TSHR (0.40) | TSHRCA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4315846-A | FUNGICIDES | TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) | 1982-02-16 | — | — | US | disclosed |
| EP-0037861-A1 | Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi | TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) | 1981-10-21 | — | — | EP | disclosed |