Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 3/20 | 0.40 |
| ▸ | RORC | P51449 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6902319 | 0.90 | CCR5 (0.42) | DPP4CCR5RORCDRD2DRD3 | |
| SCHEMBL1713447 | 0.90 | CCR5 (0.42) | DPP4CCR5RORCDRD2DRD3 | |
| SCHEMBL3646250 | 0.90 | CCR5 (0.42) | DPP4CCR5RORCDRD2DRD3 | |
| SCHEMBL1713769 | 0.89 | SIGMAR1 (0.47) | DRD4DPP4CCR5RORCDRD2 | |
| SCHEMBL1714572 | 0.89 | SIGMAR1 (0.47) | DRD4DPP4CCR5RORCDRD2 | |
| SCHEMBL1507479 | 0.84 | RORC (0.46) | DRD4DPP4CCR5RORCDRD2 | |
| SCHEMBL5274170 | 0.83 | CCR5 (0.57) | CCR5RORCDRD2DRD3SIGMAR1 | |
| SCHEMBL5236286 | 0.83 | CCR5 (0.57) | CCR5RORCDRD2DRD3SIGMAR1 | |
| SCHEMBL7827978 | 0.82 | CCR5 (0.50) | DPP4CCR5RORCDRD2DRD3 | |
| SCHEMBL5266055 | 0.82 | CCR5 (0.50) | DPP4CCR5RORCDRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073160-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |