Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 7/20 | 0.33 |
| ▸ | PPARG | P37231 | 7/20 | 0.33 |
| ▸ | PPARD | Q03181 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL10735554 | 0.90 | NPC1 (0.35) | RAB9AKDM4ENPC1HTTHTR7 | |
| SCHEMBL10664951 | 0.89 | ALOX5AP (0.37) | ALOX5APFEN1NPC1HTTPPARA | |
| SCHEMBL10728869 | 0.88 | HTR1B (0.35) | KDM4ENPC1HTR1BPPARAPPARG | |
| SCHEMBL10734539 | 0.85 | TP53 (0.37) | TP53MAPK1RAB9AKDM4EALOX5AP | |
| SCHEMBL10728770 | 0.85 | PPARG (0.37) | TP53MAPK1RAB9AKDM4EALOX5AP | |
| SCHEMBL10733392 | 0.85 | FFAR4 (0.39) | TP53MAPK1RAB9AKDM4EALOX5AP | |
| Hydrochloric Acid SCHEMBL10729202 | 0.84 | TP53 (0.39) | TP53MAPK1RAB9AKDM4EALOX5AP | |
| SCHEMBL10730700 | 0.83 | RAB9A (0.49) | MAPK1RAB9ANPC1ALDH1A1 | |
| SCHEMBL10662293 | 0.83 | KCNN4 (0.38) | RAB9AKDM4EALOX5APFEN1NPC1 | |
| Brocrinat SCHEMBL29452050 | 0.82 | PPARG (0.43) | KDM4EALOX5APFEN1PPARAPPARG |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452804-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-06-05 | — | — | US | claimed |
| US-4427691-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-01-24 | — | — | US | claimed |
| 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 | claimed |
| 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 |