Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 10/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4715291 | 0.77 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL2085172 | 0.75 | CXCR4 (0.52) | CXCR4HDAC1HDAC6ADORA2ACYP3A4 | |
| SCHEMBL30050175 | 0.74 | CXCR4 (0.53) | CXCR4HDAC1HDAC6ADORA2ACYP3A4 | |
| SCHEMBL31189926 | 0.74 | CXCR4 (0.53) | CXCR4HDAC1HDAC6ADORA2ACYP3A4 | |
| SCHEMBL3624643 | 0.74 | CXCR4 (0.53) | CXCR4HDAC1HDAC6ADORA2ACYP3A4 | |
| SCHEMBL31174256 | 0.74 | CXCR4 (0.53) | CXCR4HDAC1HDAC6ADORA2ACYP3A4 | |
| SCHEMBL14275072 | 0.74 | CXCR4 (0.49) | CXCR4HDAC1HDAC6CYP3A4CYP2D6 | |
| SCHEMBL2083452 | 0.74 | CXCR4 (0.49) | CXCR4HDAC1HDAC6CYP3A4CYP2D6 | |
| SCHEMBL4896375 | 0.73 | CXCR4 (0.53) | CXCR4HDAC1HDAC6ADORA2ACYP3A4 | |
| SCHEMBL2083934 | 0.72 | CXCR4 (0.59) | CXCR4HDAC1HDAC6ADORA2AMAPK1 |
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 7 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-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | 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 |
| EP-1317443-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022599-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-03-21 | — | — | WO | disclosed |