Predicted protein targets (top 17)
| 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 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | STAT1 | P42224 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL6903898 | 0.94 | CYP3A4 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6901825 | 0.92 | ALDH1A1 (0.34) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6897160 | 0.92 | CCR1 (0.33) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6902299 | 0.91 | CCR1 (0.32) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6902565 | 0.91 | CCR1 (0.32) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6902576 | 0.89 | SMN1; SMN2 (0.33) | CCR1CCR5CCR8HDAC6NPC1 | |
| SCHEMBL6902359 | 0.88 | CYP3A4 (0.36) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL6902650 | 0.87 | RAB9A (0.39) | NPC1TP53STAT3RAB9ASMN1; SMN2 | |
| SCHEMBL6902617 | 0.87 | ALOX5AP (0.30) | — | |
| SCHEMBL6903610 | 0.86 | PKM (0.40) | CCR1CCR5CCR8CYP3A4NPC1 |
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 |