Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 11/20 | 0.33 |
| ▸ | PPARG | P37231 | 11/20 | 0.33 |
| ▸ | PPARD | Q03181 | 11/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10735335 | 0.90 | TP53 (0.37) | NPC1HTTHTR7PPARAPPARG | |
| SCHEMBL10664951 | 0.89 | ALOX5AP (0.37) | NPC1HTTPPARAPPARGPPARD | |
| SCHEMBL11290271 | 0.88 | PPARA (0.32) | NPC1PPARAPPARGPPARDALDH1A1 | |
| SCHEMBL10730831 | 0.87 | FFAR4 (0.39) | NPC1HTTHTR7PPARAPPARG | |
| SCHEMBL10729319 | 0.87 | NPC1 (0.37) | NPC1HTTHTR7PPARAPPARG | |
| SCHEMBL10737050 | 0.87 | HTR7 (0.34) | NPC1HTTHTR7PPARAPPARG | |
| SCHEMBL10730700 | 0.83 | RAB9A (0.49) | NPC1ALDH1A1MEN1RAB9AKMT2A | |
| SCHEMBL10662293 | 0.83 | KCNN4 (0.38) | NPC1HTTHTR7KDM4EALDH1A1 | |
| Brocrinat SCHEMBL29452050 | 0.82 | PPARG (0.43) | PPARAPPARGPPARDKDM4EALDH1A1 | |
| Brocrinat SCHEMBL636178 | 0.82 | PPARG (0.43) | PPARAPPARGPPARDKDM4EALDH1A1 |
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 |