Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 4/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 5/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10658226 | 0.92 | AR (0.53) | ALDH2ARESR1ESR2MAPT | |
| SCHEMBL10659695 | 0.90 | PPARG (0.46) | ALDH2PPARGPPARA | |
| SCHEMBL10660557 | 0.86 | ALDH2 (0.50) | ALDH2ARESR1ESR2PPARG | |
| SCHEMBL10663764 | 0.83 | SMN1; SMN2 (0.45) | ALDH2ARESR1ESR2PPARG | |
| SCHEMBL10658011 | 0.78 | PPARA (0.59) | ESR1ESR2PPARGPPARAALDH1A1 | |
| SCHEMBL3378337 | 0.77 | PPARG (0.47) | PPARGPPARASMN1; SMN2 | |
| SCHEMBL10737449 | 0.76 | ALDH1A1 (0.51) | ESR1ESR2MAPTALDH1A1KDM4E | |
| SCHEMBL10658222 | 0.74 | ESR1 (0.41) | ESR1ESR2PPARGPPARAMAPT | |
| SCHEMBL10663175 | 0.74 | MAP4K4 (0.50) | ALDH2ESR1ESR2PPARGPPARA | |
| SCHEMBL10665113 | 0.73 | CA1 (0.49) | ESR1ESR2MAPTALDH1A1HPGD |
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 |