Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 9/20 | 0.41 |
| ▸ | CA2 | P00918 | 9/20 | 0.41 |
| ▸ | CA9 | Q16790 | 9/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA7 | P43166 | 4/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CCR5 | P51681 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 4/20 | 0.39 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4108723 | 0.87 | CA1 (0.43) | CASRCYP2D6CA1CA2CA9 | |
| SCHEMBL4106554 | 0.86 | CASR (0.49) | CASRCYP2D6CA1CA2CA9 | |
| SCHEMBL4106558 | 0.86 | CASR (0.49) | CASRCYP2D6CA1CA2CA9 | |
| SCHEMBL4789572 | 0.82 | CA1 (0.43) | CASRCYP2D6CA1CA2CA9 | |
| SCHEMBL4106863 | 0.76 | SCN3A (0.42) | CASRCYP2D6CCR5TLR2 | |
| SCHEMBL4106204 | 0.75 | CCR5 (0.44) | CASRCYP2D6CCR5TLR2 | |
| SCHEMBL4100239 | 0.74 | CCR5 (0.41) | CASRCYP2D6CCR5TLR2 | |
| Hydrochloric Acid SCHEMBL4106570 | 0.74 | CASR (0.54) | CASRCYP2D6CCR5 | |
| SCHEMBL4094857 | 0.73 | CASR (0.51) | CASRCYP2D6CCR5TLR2 | |
| SCHEMBL4094852 | 0.73 | CASR (0.51) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1882684-A1 | PYRROLIDINE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-01-30 | — | — | EP | disclosed |