Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10734711 | 0.90 | PTGS1 (0.35) | PTGS1GPBAR1HTR7APEX1 | |
| SCHEMBL10657153 | 0.83 | HIF1A (0.42) | PTGS1GPBAR1ALOX5APFEN1 | |
| SCHEMBL10659627 | 0.83 | PTGS1 (0.41) | PTGS1GPBAR1HTR7 | |
| SCHEMBL10730942 | 0.82 | PTGS1 (0.36) | PTGS1GPBAR1HTR7DPP4 | |
| SCHEMBL10733392 | 0.81 | FFAR4 (0.39) | PTGS1GPBAR1HTR7ALOX5APFEN1 | |
| Hydrochloric Acid SCHEMBL10729202 | 0.80 | TP53 (0.39) | PTGS1GPBAR1HTR7ALOX5APFEN1 | |
| SCHEMBL10735091 | 0.78 | FFAR4 (0.39) | PTGS1HTR7DPP4ALOX5APFEN1 | |
| SCHEMBL11557039 | 0.76 | PTGS1 (0.43) | PTGS1GPBAR1HTR7APEX1 | |
| SCHEMBL10660755 | 0.76 | GPBAR1 (0.40) | PTGS1GPBAR1HTR7 | |
| SCHEMBL10658293 | 0.75 | PPARA (0.42) | PTGS1GPBAR1 |
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-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 |