Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.49 |
| ▸ | PRKACA | P17612 | 2/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | BAZ2A | Q9UIF9 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13035832 | 0.80 | TNF (0.57) | BRD4PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL13071550 | 0.79 | CYP1A2 (0.59) | KDM4EALDH1A1HSD17B10NPSR1HTT | |
| SCHEMBL3972779 | 0.78 | LMNA (0.48) | KDM4EALDH1A1HSD17B10NPSR1HTT | |
| SCHEMBL30897344 | 0.76 | PRKACA (0.52) | BRD4PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL7168780 | 0.76 | LMNA (0.53) | BRD4PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL1708203 | 0.76 | HTT (0.60) | BRD4PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL7168778 | 0.76 | LMNA (0.53) | BRD4PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL979443 | 0.76 | HTT (0.60) | BRD4PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL15956414 | 0.76 | LMNA (0.53) | BRD4PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL13118528 | 0.76 | CNR2 (0.60) | BRD4PRKACARPS6KB1GSK3BROCK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465889-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1465889-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | AnorMED Inc. (CA) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003055876-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2003-07-10 | — | — | WO | disclosed |