Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | RYR2 | Q92736 | 4/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11568863 | 0.89 | AKR1B1 (0.70) | AKR1B1CA12CA9CA1CA2 | |
| SCHEMBL11573796 | 0.87 | AKR1B1 (0.55) | AKR1B1KDM4EALDH1A1GAAGFER | |
| SCHEMBL11824727 | 0.87 | AKR1B1 (0.74) | AKR1B1CA12CA9CA1CA2 | |
| SCHEMBL11867286 | 0.84 | CA12 (0.46) | AKR1B1CA12CA9CA1CA2 | |
| SCHEMBL11631666 | 0.81 | CA12 (0.45) | AKR1B1CA12CA9CA1CA2 | |
| SCHEMBL11564656 | 0.77 | KDM4E (0.46) | AKR1B1CA12CA9CA1CA2 | |
| SCHEMBL11658398 | 0.77 | CA12 (0.45) | AKR1B1CA12CA9CA1CA2 | |
| SCHEMBL11826995 | 0.76 | AKR1B1 (0.71) | AKR1B1KDM4EHTTALDH1A1 | |
| SCHEMBL11820546 | 0.75 | AKR1B1 (0.69) | AKR1B1ALDH1A1 | |
| SCHEMBL11566285 | 0.75 | ALDH1A1 (0.55) | AKR1B1CA12CA9CA1CA2 |
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-0005055-A2 | 6,11-Dihydrodibenzo-thiepin-11-ones and their S-oxides, methods for their preparation and pharmaceutical compositions containing them | SYNTEX (U.S.A.) INC. (US) | 1979-10-31 | — | — | EP | disclosed |