Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL13544176 | 0.88 | PTK2B (0.37) | KEAP1NFE2L2SMN1; SMN2PTK2BMETAP2 | |
| SCHEMBL13544174 | 0.77 | GAA (0.37) | SMN1; SMN2PTK2BMETAP2ALDH1A1MAPK1 | |
| SCHEMBL31567058 | 0.77 | CA1 (0.37) | CA1CA2CA12CA7CA13 | |
| SCHEMBL27389576 | 0.75 | CA1 (0.45) | KEAP1NFE2L2SMN1; SMN2CA1CA2 | |
| SCHEMBL3522980 | 0.71 | TSHR (0.40) | KEAP1NFE2L2SMN1; SMN2CA1CA2 | |
| SCHEMBL15575771 | 0.71 | FABP4 (0.35) | SMN1; SMN2PTK2BMETAP2ALDH1A1 | |
| SCHEMBL19614276 | 0.71 | CA1 (0.40) | CA1CA2CA12CA7CA13 | |
| SCHEMBL27504833 | 0.71 | CA1 (0.40) | KEAP1NFE2L2SMN1; SMN2CA1CA2 | |
| SCHEMBL23414288 | 0.69 | DPP4 (0.42) | KEAP1NFE2L2SMN1; SMN2CA1CA2 | |
| SCHEMBL7539140 | 0.68 | CA12 (0.35) | SMN1; SMN2PTK2BCA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |