Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | PPARA | Q07869 | 11/20 | 0.41 |
| ▸ | PPARG | P37231 | 10/20 | 0.41 |
| ▸ | PPARD | Q03181 | 10/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | CDH1 | P12830 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10660550 | 0.89 | PPARA (0.43) | ESR1ESR2PPARAPPARGPPARD | |
| SCHEMBL10662939 | 0.86 | PPARA (0.55) | ESR1ESR2PPARAPPARGPPARD | |
| SCHEMBL10658011 | 0.82 | PPARA (0.59) | ESR1ESR2PPARAPPARGPPARD | |
| SCHEMBL13069472 | 0.81 | PPARA (0.53) | PPARAPPARGPPARDCDH1CTNNB1 | |
| SCHEMBL3378784 | 0.80 | PPARA (0.47) | PPARAPPARGPPARDKMT2AMEN1 | |
| SCHEMBL10663764 | 0.80 | SMN1; SMN2 (0.45) | ESR1ESR2PPARAPPARGPPARD | |
| SCHEMBL10663175 | 0.79 | MAP4K4 (0.50) | ESR1ESR2PPARAPPARGPPARD | |
| SCHEMBL10659695 | 0.78 | PPARG (0.46) | PPARAPPARG | |
| SCHEMBL10660557 | 0.77 | ALDH2 (0.50) | ESR1ESR2PPARGKMT2AALDH1A1 | |
| SCHEMBL10665113 | 0.77 | CA1 (0.49) | ESR1ESR2DHODHKMT2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |