Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL11557509 | 0.83 | PTGS1 (0.41) | ESR1ESR2HSP90AA1HTR7GPBAR1 | |
| SCHEMBL10660005 | 0.83 | ESR1 (0.52) | ESR1ESR2HSP90AA1MEN1KMT2A | |
| SCHEMBL10664921 | 0.80 | NPC1 (0.42) | NPSR1MEN1KMT2AHTR7GPBAR1 | |
| SCHEMBL10514333 | 0.78 | ESR1 (0.46) | ESR1ESR2HSP90AA1MEN1KMT2A | |
| SCHEMBL10661793 | 0.78 | ESR1 (0.72) | ESR1ESR2HSP90AA1 | |
| SCHEMBL10660755 | 0.76 | GPBAR1 (0.40) | ESR1ESR2HSP90AA1LMNAMEN1 | |
| SCHEMBL10735091 | 0.76 | FFAR4 (0.39) | ESR1ESR2HTR7PTGS1NPC1 | |
| SCHEMBL10655912 | 0.76 | KDM4E (0.45) | PPARGRXFP1 | |
| SCHEMBL10730207 | 0.75 | FFAR4 (0.38) | ESR1ESR2MEN1KMT2AHTR7 | |
| SCHEMBL11558759 | 0.72 | NPC1 (0.46) | MEN1KMT2AHTR7GPBAR1PTGS1 |
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 5 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-4452804-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-06-05 | — | — | US | 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 |