Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 4/20 | 0.33 |
| ▸ | PPARA | Q07869 | 4/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | 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 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15856449 | 0.85 | AKR1C3 (0.36) | AKR1C3AKR1C2MCL1ACMSDNTSR1 | |
| SCHEMBL19901442 | 0.84 | AKR1C3 (0.41) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL15853031 | 0.83 | AKR1C3 (0.34) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL19901409 | 0.82 | PTGS2 (0.36) | AKR1C3AKR1C2SMN1; SMN2MAPTHPGD | |
| SCHEMBL15856331 | 0.82 | AKR1C3 (0.37) | AKR1C3AKR1C2MCL1ACMSDNTSR1 | |
| SCHEMBL19901459 | 0.81 | AKR1C3 (0.39) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL15856470 | 0.80 | PPARG (0.35) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL15856456 | 0.80 | PPARG (0.35) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL15853037 | 0.80 | AKR1C3 (0.35) | AKR1C3AKR1C2MCL1ACMSDNTSR1 | |
| SCHEMBL19901480 | 0.79 | CA12 (0.39) | AKR1C3AKR1C2MCL1ACMSDPPARG |
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 |