Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856455 | 0.95 | AKR1C3 (0.38) | AKR1C3AKR1C2PTGS2HSD17B1HSD17B2 | |
| SCHEMBL15856347 | 0.94 | AKR1C3 (0.36) | AKR1C3AKR1C2PTGS2HSD17B1HSD17B2 | |
| SCHEMBL15856344 | 0.94 | AKR1C3 (0.36) | AKR1C3AKR1C2PTGS2HSD17B1HSD17B2 | |
| SCHEMBL15856407 | 0.90 | PTGS2 (0.36) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL15856430 | 0.86 | AKR1C3 (0.38) | AKR1C3AKR1C2PTGS2HSD17B1HSD17B2 | |
| SCHEMBL15853046 | 0.85 | AKR1C3 (0.36) | AKR1C3AKR1C2PTGS2HSD17B1HSD17B2 | |
| SCHEMBL15856424 | 0.85 | ACLY (0.34) | PTGS2PTGS1ACLY | |
| SCHEMBL15856331 | 0.85 | AKR1C3 (0.37) | AKR1C3AKR1C2PTGS2PTGS1CYP2C9 | |
| SCHEMBL15856545 | 0.84 | PTGS2 (0.36) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL15856493 | 0.84 | PTGS2 (0.36) | AKR1C3AKR1C2PTGS2PTGS1TSHR |
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 |