Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 11/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | FBP1 | P09467 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 8/20 | 0.42 |
| ▸ | PPARD | Q03181 | 6/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL10662939 | 0.86 | PPARA (0.55) | PPARACYP1A2CYP3A4PPARGPPARD | |
| SCHEMBL10660550 | 0.82 | PPARA (0.43) | PPARACYP1A2CYP3A4PPARGPPARD | |
| SCHEMBL10658222 | 0.82 | ESR1 (0.41) | PPARACYP1A2CYP3A4PPARGPPARD | |
| SCHEMBL10660557 | 0.81 | ALDH2 (0.50) | PPARGALDH1A1HPGDKMT2AESR1 | |
| SCHEMBL10643064 | 0.80 | ALDH1A1 (0.40) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL10658226 | 0.80 | AR (0.53) | CYP1A2TSHRALDH1A1HPGDESR1 | |
| SCHEMBL13069472 | 0.80 | PPARA (0.53) | PPARACYP1A2CYP3A4PPARGPPARD | |
| SCHEMBL3378784 | 0.80 | PPARA (0.47) | PPARACYP1A2CYP3A4PPARGPPARD | |
| SCHEMBL10643453 | 0.80 | ABCB11 (0.38) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL10644288 | 0.80 | CNR2 (0.43) | PPARAABCB11CYP1A2CYP3A4TSHR |
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 |