Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 7/20 | 0.38 |
| ▸ | PPARA | Q07869 | 7/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19901366 | 0.88 | PTGS2 (0.36) | AKR1C3AKR1C2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL19901501 | 0.88 | LMNA (0.38) | AKR1C3AKR1C2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL15856340 | 0.85 | PPARG (0.36) | AKR1C3AKR1C2PPARGPPARACA12 | |
| SCHEMBL15856342 | 0.85 | PPARG (0.36) | AKR1C3AKR1C2PPARGPPARACA12 | |
| SCHEMBL15853072 | 0.82 | PPARG (0.38) | AKR1C3AKR1C2PPARGPPARACA12 | |
| SCHEMBL15853069 | 0.82 | PPARG (0.38) | AKR1C3AKR1C2PPARGPPARACA12 | |
| SCHEMBL19901446 | 0.81 | AKR1C3 (0.41) | AKR1C3AKR1C2PPARGPPARACA12 | |
| SCHEMBL15856454 | 0.80 | AKR1C3 (0.36) | AKR1C3AKR1C2PPARGPPARACA12 | |
| SCHEMBL15856415 | 0.79 | AKR1C3 (0.37) | AKR1C3AKR1C2PPARGPPARACA12 | |
| SCHEMBL19901480 | 0.78 | CA12 (0.39) | AKR1C3AKR1C2PPARGPPARACA12 |
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-9905776-B2 | Pyrene-based compound and organic light-emitting diode comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-02-27 | — | — | US | disclosed |