Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 5/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10729308 | 0.89 | LSS (0.39) | LSSMAOBESR1ESR2PPARD | |
| SCHEMBL10734618 | 0.87 | ESR1 (0.41) | LSSAOC3MAOBESR1ESR2 | |
| SCHEMBL10736474 | 0.81 | AKR1C3 (0.47) | PPARD | |
| SCHEMBL10659748 | 0.81 | ALDH1A1 (0.43) | MAOBESR1ESR2 | |
| SCHEMBL10730934 | 0.81 | HTR1A (0.38) | LSS | |
| SCHEMBL10732793 | 0.80 | RAB9A (0.51) | — | |
| SCHEMBL10733403 | 0.77 | LSS (0.47) | LSSAOC3ESR1ESR2PPARD | |
| SCHEMBL10730137 | 0.76 | ESR1 (0.40) | LSSESR1ESR2 | |
| SCHEMBL10661061 | 0.74 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL10728869 | 0.72 | HTR1B (0.35) | PPARD |
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 |