Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 17/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | PPARG | P37231 | 14/20 | 0.50 |
| ▸ | PPARD | Q03181 | 13/20 | 0.50 |
| ▸ | FABP2 | P12104 | 1/20 | 0.49 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13069472 | 0.93 | PPARA (0.53) | PPARAMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3378784 | 0.93 | PPARA (0.47) | PPARAMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10660550 | 0.87 | PPARA (0.43) | PPARAMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10658222 | 0.86 | ESR1 (0.41) | PPARAMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10658011 | 0.86 | PPARA (0.59) | PPARAMEN1CYP1A2CYP3A4KMT2A | |
| SCHEMBL3410208 | 0.82 | PPARA (0.48) | PPARAPPARGPPARD | |
| SCHEMBL3377036 | 0.81 | PPARG (0.47) | PPARAMEN1CYP2C19KMT2APPARG | |
| SCHEMBL3376815 | 0.81 | PPARA (0.53) | PPARAPPARGPPARD | |
| SCHEMBL3376214 | 0.80 | PPARG (0.51) | PPARAPPARGPPARD | |
| SCHEMBL3376896 | 0.80 | PPARD (0.53) | PPARAPPARGPPARD |
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 |