Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.74 |
| ▸ | CA12 | O43570 | 5/20 | 0.69 |
| ▸ | CA6 | P23280 | 5/20 | 0.69 |
| ▸ | CA7 | P43166 | 5/20 | 0.69 |
| ▸ | CA9 | Q16790 | 5/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.69 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.69 |
| ▸ | LMNA | P02545 | 4/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.69 |
| ▸ | CA2 | P00918 | 4/20 | 0.69 |
| ▸ | CA4 | P22748 | 4/20 | 0.69 |
| ▸ | CA5A | P35218 | 4/20 | 0.69 |
| ▸ | CA3 | P07451 | 3/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.69 |
| ▸ | CA1 | P00915 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | RECQL | P46063 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7524242 | 1.00 | ESR1 (0.74) | ESR1CA12CA6CA7CA9 | |
| SCHEMBL7757906 | 0.97 | — | — | |
| SCHEMBL17119217 | 0.91 | ESR1 (0.79) | ESR1CA12CA6CA7CA9 | |
| SCHEMBL22017445 | 0.85 | CA12 (0.65) | ESR1CA12CA6CA7CA9 | |
| Wr-1065 SCHEMBL38865 | 0.85 | — | — | |
| SCHEMBL25340653 | 0.83 | CA12 (1.00) | ESR1CA12CA6CA7CA9 | |
| Trientine SCHEMBL15439 | 0.83 | CA12 (1.00) | ESR1CA12CA6CA7CA9 | |
| Trientine SCHEMBL3840289 | 0.83 | CA12 (1.00) | ESR1CA12CA6CA7CA9 | |
| SCHEMBL25342922 | 0.83 | CA12 (1.00) | ESR1CA12CA6CA7CA9 | |
| SCHEMBL20985200 | 0.83 | ESR1 (0.56) | ESR1CA12CA6CA7CA9 |
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 |