Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 7/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 8/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL1094614 | 0.94 | ESR1 (0.33) | ESR1ESR2CCR5DRD3KCNH2 | |
| SCHEMBL3575203 | 0.90 | CASR (0.35) | CCR5DRD3KCNH2CASR | |
| SCHEMBL1096395 | 0.85 | ESR1 (0.34) | ESR1ESR2CCR5DRD3KCNH2 | |
| SCHEMBL1096414 | 0.84 | FFAR4 (0.32) | CCR5RORC | |
| SCHEMBL3572894 | 0.84 | CASR (0.35) | ESR1ESR2CASR | |
| SCHEMBL1096146 | 0.83 | KCNH2 (0.32) | CCR5KCNH2 | |
| SCHEMBL1094613 | 0.79 | ESR1 (0.34) | ESR1ESR2CCR5DRD3KCNH2 | |
| SCHEMBL1094794 | 0.79 | FFAR4 (0.32) | CCR5 | |
| SCHEMBL3573546 | 0.77 | CASR (0.39) | CASR | |
| SCHEMBL1096778 | 0.77 | CCR5 (0.39) | CCR5KCNH2 |
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-8153658-B2 | Piperidine derivative or salt thereof | ASTELLAS PHARMA, INC. (JP) | 2012-04-10 | — | — | US | disclosed |