Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | EBP | Q15125 | 1/20 | 0.34 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10930139 | 0.98 | ESR2 (0.40) | ESR2NISCHBACE1MAOAMAOB | |
| SCHEMBL11199923 | 0.92 | ESR2 (0.43) | ESR2BACE1HRH3 | |
| SCHEMBL11197977 | 0.90 | ESR2 (0.44) | ESR2BACE1HRH3 | |
| SCHEMBL10930612 | 0.85 | ESR2 (0.39) | ESR2NISCHBACE1CCR2ALDH1A1 | |
| SCHEMBL11141818 | 0.83 | CYP2A6 (0.41) | ESR2BACE1MAOAMAOBCCR2 | |
| SCHEMBL10930948 | 0.83 | ESR2 (0.38) | ESR2BACE1MAOAMAOBCCR2 | |
| SCHEMBL10932344 | 0.83 | ESR2 (0.57) | ESR2BACE1ALDH1A1MAPT | |
| SCHEMBL24230480 | 0.82 | PDE3B (0.39) | ESR2BACE1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL10930951 | 0.81 | ESR2 (0.59) | ESR2BACE1ALDH1A1MAPT | |
| SCHEMBL10930356 | 0.81 | ESR2 (0.39) | ESR2BACE1MAOAMAOBCCR2 |
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-4505837-A | Liquid crystalline phenylcyclohexene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-03-19 | — | — | US | disclosed |