Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 6/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13087002 | 0.92 | NISCH (0.43) | ERN1NISCHKMOAKR1C3AKR1C2 | |
| SCHEMBL91694 | 0.87 | ESR1 (0.43) | ERN1ESR1ESR2ABL1 | |
| SCHEMBL10304877 | 0.81 | ERN1 (0.49) | ERN1ESR1ESR2NISCHKMO | |
| SCHEMBL10018709 | 0.80 | NISCH (0.47) | ERN1ESR1ESR2NISCHKMO | |
| SCHEMBL12377626 | 0.79 | NISCH (0.52) | ERN1NISCHKMOAKR1C3AKR1C2 | |
| SCHEMBL22219382 | 0.79 | NISCH (0.42) | ERN1NISCHKMOAKR1C3AKR1C2 | |
| SCHEMBL91729 | 0.78 | ERN1 (0.32) | ERN1ESR1ESR2NISCHABL1 | |
| SCHEMBL10304803 | 0.78 | NISCH (0.44) | ERN1ESR1ESR2NISCHKMO | |
| SCHEMBL91700 | 0.77 | S1PR1 (0.43) | AKR1C3AKR1C2 | |
| SCHEMBL13703909 | 0.77 | NISCH (0.50) | ERN1NISCHKMOAKR1C3AKR1C2 |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |