Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 5/20 | 0.33 |
| ▸ | PPARG | P37231 | 5/20 | 0.33 |
| ▸ | PPARD | Q03181 | 5/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10729202 | 0.99 | TP53 (0.39) | FFAR4PTGS1TP53MAPK1RAB9A | |
| SCHEMBL10735486 | 0.91 | FFAR4 (0.36) | FFAR4PTGS1TP53MAPK1RAB9A | |
| SCHEMBL10661817 | 0.89 | FFAR4 (0.41) | FFAR4PTGS1ALOX5APFEN1PPARA | |
| SCHEMBL10730831 | 0.89 | FFAR4 (0.39) | FFAR4PTGS1HTR7PPARAPPARG | |
| SCHEMBL10734587 | 0.88 | FFAR4 (0.35) | FFAR4RAB9AKDM4EHTR1BGAA | |
| SCHEMBL10735962 | 0.87 | FFAR4 (0.39) | FFAR4TP53MAPK1RAB9AKDM4E | |
| SCHEMBL10734093 | 0.86 | ALOX5AP (0.37) | FFAR4ALOX5APFEN1GABRA5 | |
| SCHEMBL10733378 | 0.86 | GABRA5 (0.37) | FFAR4ALOX5APFEN1PPARDGABRA5 | |
| SCHEMBL10730424 | 0.86 | PARP1 (0.36) | FFAR4KDM4EALOX5APFEN1GABRA5 | |
| SCHEMBL10734539 | 0.85 | TP53 (0.37) | PTGS1TP53MAPK1RAB9AKDM4E |
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 6 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-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 |