Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 16/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4486890 | 1.00 | CASR (0.46) | CASRCYP2D6CCR5TLR2 | |
| Hydrochloric Acid SCHEMBL4094900 | 0.99 | CASR (0.46) | CASRCYP2D6CCR5 | |
| Hydrochloric Acid SCHEMBL4094895 | 0.99 | CASR (0.46) | CASRCYP2D6CCR5 | |
| SCHEMBL4101872 | 0.85 | CCR5 (0.37) | CASRCYP2D6CCR5TLR2 | |
| Hydrochloric Acid SCHEMBL4094088 | 0.85 | CASR (0.44) | CASRCYP2D6CCR5TLR2 | |
| Hydrochloric Acid SCHEMBL4106570 | 0.83 | CASR (0.54) | CASRCYP2D6CCR5 | |
| SCHEMBL4094852 | 0.82 | CASR (0.51) | CASRCYP2D6CCR5TLR2 | |
| SCHEMBL4094857 | 0.82 | CASR (0.51) | CASRCYP2D6CCR5TLR2 | |
| SCHEMBL4111924 | 0.81 | CYP2D6 (0.54) | CASRCYP2D6CCR5TLR2 | |
| SCHEMBL4111919 | 0.81 | CYP2D6 (0.54) | CASRCYP2D6CCR5TLR2 |
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-7585886-B2 | Pyrrolidine derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2009-09-08 | — | — | US | disclosed |