Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL91711 | 0.90 | HSD17B1 (0.36) | ERN1HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL91721 | 0.85 | S1PR1 (0.38) | HSD17B1HSD17B2FFAR4CYP11B1CYP11B2 | |
| SCHEMBL12829124 | 0.79 | GPR3 (0.33) | FFAR4GRIN2B | |
| SCHEMBL91729 | 0.78 | ERN1 (0.32) | ERN1ESR1ESR2FFAR4NISCH | |
| SCHEMBL91839 | 0.77 | FFAR4 (0.33) | ERN1HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL91695 | 0.77 | ERN1 (0.47) | ERN1ESR1ESR2NISCHABL1 | |
| SCHEMBL91723 | 0.76 | FFAR4 (0.32) | ESR1ESR2FFAR4 | |
| SCHEMBL91722 | 0.75 | — | — | |
| SCHEMBL91739 | 0.75 | FFAR4 (0.31) | FFAR4CYP11B1CYP11B2 | |
| SCHEMBL91743 | 0.75 | FFAR4 (0.31) | FFAR4 |
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 |