Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 15/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12935367 | 0.80 | CXCR4 (0.74) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL2084833 | 0.80 | CXCR4 (0.74) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL2084037 | 0.79 | CXCR4 (1.00) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL12935366 | 0.78 | CXCR4 (0.78) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL2084710 | 0.75 | CXCR4 (0.73) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL11858928 | 0.74 | CXCR4 (0.70) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL12935355 | 0.72 | CXCR4 (0.78) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL2086783 | 0.72 | CXCR4 (0.60) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL15778057 | 0.71 | BCHE (0.65) | CXCR4CYP2D6DRD2BCHECYP1A2 | |
| SCHEMBL12935351 | 0.71 | CXCR4 (0.59) | CXCR4CYP2D6CHRM2DRD2OPRM1 |
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-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |