Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.40 |
| ▸ | LSS | P48449 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 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 | |
|---|---|---|---|---|
| SCHEMBL10734618 | 0.89 | ESR1 (0.41) | ESR1ESR2LSSNPC1MAPT | |
| SCHEMBL10729308 | 0.88 | LSS (0.39) | ESR1ESR2LSSNPC1MAPT | |
| SCHEMBL10731193 | 0.86 | LSS (0.39) | LSSKCNH2 | |
| SCHEMBL10735499 | 0.83 | NPC1 (0.38) | NPC1MAPTRAB9ASMN1; SMN2HTR7 | |
| SCHEMBL10735015 | 0.82 | RAB9A (0.54) | NPC1MAPTRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL10661416 | 0.81 | ALDH1A1 (0.50) | ESR1ESR2MAPTKDM4EALDH1A1 | |
| SCHEMBL10661492 | 0.80 | NPC1 (0.55) | ESR1ESR2NPC1MAPTRAB9A | |
| SCHEMBL10730207 | 0.80 | FFAR4 (0.38) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10728517 | 0.76 | LSS (0.49) | ESR1ESR2LSSMAPTKDM4E | |
| SCHEMBL10735918 | 0.76 | LSS (0.38) | ESR1ESR2LSS |
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 |