Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 19/20 | 0.72 |
| ▸ | ESR2 | Q92731 | 19/20 | 0.72 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10661061 | 0.84 | ESR1 (0.61) | ESR1ESR2HSP90AA1 | |
| SCHEMBL3922605 | 0.84 | ESR1 (1.00) | ESR1ESR2HSP90AA1 | |
| SCHEMBL10656279 | 0.83 | ESR1 (0.62) | ESR1ESR2HSP90AA1 | |
| SCHEMBL11558270 | 0.81 | ESR1 (0.48) | ESR1ESR2HSP90AA1CA12CA9 | |
| SCHEMBL10514333 | 0.79 | ESR1 (0.46) | ESR1ESR2HSP90AA1CA12CA9 | |
| SCHEMBL14020898 | 0.79 | ESR1 (0.81) | ESR1ESR2HSP90AA1 | |
| SCHEMBL3932748 | 0.78 | ESR1 (1.00) | ESR1ESR2HSP90AA1 | |
| SCHEMBL3934755 | 0.78 | ESR1 (1.00) | ESR1ESR2HSP90AA1 | |
| SCHEMBL3929820 | 0.78 | ESR1 (1.00) | ESR1ESR2HSP90AA1 | |
| SCHEMBL10661492 | 0.78 | NPC1 (0.55) | ESR1ESR2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4728662-A | DIURETICS, URICOSURICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-03-01 | — | — | US | disclosed |
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | disclosed |
| US-4644064-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1987-02-17 | — | — | US | disclosed |
| US-4504669-A | DIURETIC | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-03-12 | — | — | US | disclosed |
| US-4452804-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4427691-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-01-24 | — | — | US | disclosed |
| EP-0058977-A1 | 1,2-Benzisoxazoloxyethylamines, their intermediates, a process for their preparation, pharmaceutical composition containing the same and their use as diuretics | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1982-09-01 | — | — | EP | disclosed |
| EP-0002666-B1 | 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-02-17 | — | — | EP | disclosed |
| EP-0002666-A1 | 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-11 | — | — | EP | disclosed |