Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL6901825 | 0.82 | ALDH1A1 (0.34) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6898599 | 0.82 | GRM5 (0.34) | CCR1CCR5CCR8ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6904962 | 0.81 | CYP3A4 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6904291 | 0.80 | CCR1 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6902522 | 0.80 | CCR1 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6902400 | 0.80 | CCR1 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6903898 | 0.79 | CYP3A4 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6902576 | 0.78 | SMN1; SMN2 (0.33) | CCR1CCR5CCR8HDAC6ALDH1A1 | |
| SCHEMBL6899180 | 0.76 | KDM4E (0.35) | CCR1CCR5CCR8HDAC6ALDH1A1 | |
| SCHEMBL6902650 | 0.76 | RAB9A (0.39) | — |
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-1033371-B1 | Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2004-01-28 | — | — | EP | claimed |