Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 14/20 | 0.44 |
| ▸ | PPARA | Q07869 | 13/20 | 0.44 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3378337 | 0.93 | PPARG (0.47) | SMN1; SMN2PPARGPPARA | |
| SCHEMBL10659695 | 0.91 | PPARG (0.46) | PPARGPPARACTRCALDH2 | |
| SCHEMBL10658226 | 0.89 | AR (0.53) | SMN1; SMN2ESR1ESR2ALDH2AR | |
| SCHEMBL10656236 | 0.83 | ALDH2 (0.46) | SMN1; SMN2PPARGPPARAESR1ESR2 | |
| SCHEMBL10660557 | 0.81 | ALDH2 (0.50) | SMN1; SMN2PPARGESR1ESR2ALDH2 | |
| SCHEMBL3376160 | 0.80 | PPARG (0.52) | SMN1; SMN2PPARGPPARAPPARD | |
| SCHEMBL10658222 | 0.80 | ESR1 (0.41) | PPARGPPARAESR1ESR2PPARD | |
| SCHEMBL10663175 | 0.79 | MAP4K4 (0.50) | SMN1; SMN2PPARGPPARAESR1ESR2 | |
| SCHEMBL10656039 | 0.79 | PPARA (0.42) | PPARGPPARAPPARD | |
| SCHEMBL13069486 | 0.78 | PPARA (0.47) | PPARGPPARAPPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | claimed |
| US-4728662-A | DIURETICS, URICOSURICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-03-01 | — | — | US | disclosed |
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | disclosed |