Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | FABP2 | P12104 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856374 | 0.91 | ESR2 (0.48) | ESR2DHFRPTGS1LMNAMEN1 | |
| SCHEMBL5547251 | 0.84 | ESR2 (0.58) | ESR2DHFRTSHRHPGDCYP2A6 | |
| SCHEMBL16890083 | 0.84 | BACE1 (0.48) | PTGS1LMNAMEN1PTGS2KMT2A | |
| SCHEMBL18304666 | 0.83 | ESR2 (0.44) | ESR2PTGS1LMNAMEN1PTGS2 | |
| SCHEMBL19857179 | 0.82 | PDE4A (0.46) | ESR2DHFRPTGS1LMNAMEN1 | |
| SCHEMBL5402168 | 0.81 | BACE1 (0.50) | PTGS1LMNAMEN1PTGS2KMT2A | |
| SCHEMBL4830408 | 0.81 | ESR2 (0.60) | ESR2DHFRTSHRHPGDCYP2A6 | |
| SCHEMBL13812471 | 0.79 | LMNA (0.44) | ESR2PTGS1LMNAMEN1PTGS2 | |
| SCHEMBL12441790 | 0.79 | PDCD1 (0.49) | ESR2DHFRPTGS1LMNAMEN1 | |
| SCHEMBL13714218 | 0.79 | PDCD1 (0.49) | ESR2PTGS1LMNAMEN1PTGS2 |
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 |