Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 8/20 | 0.35 |
| ▸ | PPARA | Q07869 | 8/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856456 | 1.00 | PPARG (0.35) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL15856449 | 0.94 | AKR1C3 (0.36) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL15856331 | 0.93 | AKR1C3 (0.37) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL15856545 | 0.87 | PTGS2 (0.36) | AKR1C3AKR1C2RXRARXRB | |
| SCHEMBL15856493 | 0.87 | PTGS2 (0.36) | AKR1C3AKR1C2RXRARXRB | |
| SCHEMBL15856452 | 0.87 | PTGS2 (0.34) | CYP2C9CYP2C19AKR1C3AKR1C2CYP1A2 | |
| SCHEMBL15856342 | 0.86 | PPARG (0.36) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL15856340 | 0.86 | PPARG (0.36) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL15853061 | 0.85 | PPARG (0.38) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL15853056 | 0.85 | PPARG (0.38) | PPARGPPARACYP2C9CYP2C19PPARD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140183468-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-03 | — | — | US | disclosed |