Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10730942 | 0.89 | PTGS1 (0.36) | PTGS1HTR7GPBAR1HPGDTSHR | |
| SCHEMBL10728807 | 0.83 | RAB9A (0.43) | PTGS1HPGDTSHRMAPK1 | |
| SCHEMBL10734711 | 0.83 | PTGS1 (0.35) | PTGS1HTR7GPBAR1HPGDTSHR | |
| SCHEMBL10655898 | 0.82 | KMT2A (0.38) | PTGS1GPBAR1HPGDTSHRMAPK1 | |
| SCHEMBL10657148 | 0.82 | PTGS1 (0.41) | PTGS1HTR7GPBAR1HPGDTSHR | |
| SCHEMBL10730831 | 0.78 | FFAR4 (0.39) | PTGS1HTR7GPBAR1 | |
| SCHEMBL10735499 | 0.75 | NPC1 (0.38) | PTGS1HTR7GPBAR1HPGDTSHR | |
| SCHEMBL10661063 | 0.75 | PTGS1 (0.41) | PTGS1HTR7GPBAR1HPGDTSHR | |
| SCHEMBL11559072 | 0.75 | PTGS1 (0.44) | PTGS1HTR7GPBAR1HPGDTSHR | |
| SCHEMBL10657879 | 0.73 | MAPT (0.39) | PTGS1GPBAR1HPGDTSHRMAPK1 |
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 |