Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 8/20 | 0.36 |
| ▸ | PPARD | Q03181 | 8/20 | 0.36 |
| ▸ | PPARA | Q07869 | 8/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
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 | 0.89 | PPARG (0.37) | NPC1HTTPPARGPPARDPPARA | |
| SCHEMBL10735554 | 0.87 | NPC1 (0.35) | NPC1HTTPPARGPPARDPPARA | |
| SCHEMBL10737050 | 0.86 | HTR7 (0.34) | NPC1HTTPPARGPPARDPPARA | |
| SCHEMBL10730831 | 0.86 | FFAR4 (0.39) | NPC1HTTPPARGPPARDPPARA | |
| SCHEMBL10730299 | 0.82 | RAB9A (0.49) | NPC1RAB9AMEN1KMT2AL3MBTL1 | |
| SCHEMBL10658274 | 0.82 | NPC1 (0.43) | NPC1HTTPTGS1RAB9ASMN1; SMN2 | |
| SCHEMBL10662754 | 0.81 | FHIT (0.47) | NPC1PPARGPPARDPPARA | |
| SCHEMBL10730283 | 0.80 | FFAR4 (0.39) | NPC1PPARGPPARDPPARAPTGS1 | |
| SCHEMBL10730000 | 0.80 | PPARA (0.35) | NPC1PPARGPPARDPPARAPTGS1 | |
| SCHEMBL10735335 | 0.77 | TP53 (0.37) | NPC1HTTPPARGPPARDPPARA |
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 |