Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.32 |
| ▸ | LTB4R | Q15722 | 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 | |
|---|---|---|---|---|
| SCHEMBL10735091 | 0.89 | FFAR4 (0.39) | FFAR4SCN9AKMOHTR7PTGS1 | |
| SCHEMBL10734216 | 0.83 | RAB9A (0.44) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL10655912 | 0.82 | KDM4E (0.45) | FFAR4KMOHPGDSMN1; SMN2HTT | |
| SCHEMBL10664921 | 0.82 | NPC1 (0.42) | HTR7PTGS1NPC1RAB9AHPGD | |
| SCHEMBL10735499 | 0.80 | NPC1 (0.38) | HTR7PTGS1NPC1RAB9AHPGD | |
| SCHEMBL10730137 | 0.80 | ESR1 (0.40) | HTR7NPC1RAB9AESR1ESR2 | |
| SCHEMBL10734711 | 0.78 | PTGS1 (0.35) | HTR7PTGS1HPGDGPBAR1 | |
| SCHEMBL10730831 | 0.78 | FFAR4 (0.39) | FFAR4HTR7PTGS1NPC1GPBAR1 | |
| SCHEMBL10655935 | 0.75 | ESR1 (0.52) | HTR7PTGS1NPC1RAB9AESR1 | |
| SCHEMBL11557509 | 0.75 | PTGS1 (0.41) | HTR7PTGS1NPC1RAB9AESR1 |
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 |