Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 6/20 | 0.35 |
| ▸ | PPARG | P37231 | 6/20 | 0.35 |
| ▸ | PPARD | Q03181 | 6/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10728770 | 0.81 | PPARG (0.37) | PPARAPPARGPPARDGABRA5NPC1 | |
| SCHEMBL10729319 | 0.80 | NPC1 (0.37) | PPARAPPARGPPARDGABRA5NPC1 | |
| SCHEMBL10730299 | 0.77 | RAB9A (0.49) | ALDH1A1HPGDTSHRMAPTNPC1 | |
| SCHEMBL10662754 | 0.76 | FHIT (0.47) | PPARAPPARGPPARDNPC1 | |
| SCHEMBL10736238 | 0.75 | SLC6A9 (0.39) | PPARAPPARGPPARDSLC6A9PTGS1 | |
| SCHEMBL10658274 | 0.75 | NPC1 (0.43) | ALDH1A1HPGDTSHRMAPTNPC1 | |
| SCHEMBL11553219 | 0.72 | PTGS1 (0.45) | MAPTNPC1PTGS1 | |
| SCHEMBL10662964 | 0.69 | TSHR (0.43) | PPARAPPARGPPARDALDH1A1HPGD | |
| SCHEMBL10660661 | 0.68 | CTSS (0.41) | PPARAPPARGPPARDGABRA5HPGD | |
| SCHEMBL10662256 | 0.68 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRMAPTNPC1 |
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 |