Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 13/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL6171159 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL6187298 | 0.81 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL6174675 | 0.81 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL6170254 | 0.81 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL4020339 | 0.80 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL4020636 | 0.80 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL13720130 | 0.76 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL13720695 | 0.76 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL13720479 | 0.76 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL6172602 | 0.76 | CCR2 (0.36) | SLC6A2SLC6A4SLC6A3HTR2COPRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569934-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004055010-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |