Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2470043 | 0.97 | CXCR4 (0.37) | CXCR4CHRM2CHRM4CHRM5CYP2D6 | |
| SCHEMBL2475089 | 0.93 | CXCR4 (0.38) | CXCR4TRPV1OPRL1PDE10AMGLL | |
| SCHEMBL2476483 | 0.85 | CXCR4 (0.40) | CXCR4ATMTRPV1OPRL1PDE10A | |
| SCHEMBL8300352 | 0.81 | ATM (0.43) | CXCR4CYP2D6ATMOPRL1 | |
| SCHEMBL2479313 | 0.81 | CXCR4 (0.40) | CXCR4ATMTRPV1OPRL1PDE10A | |
| SCHEMBL2472935 | 0.80 | CXCR4 (0.41) | CXCR4CYP2D6ATMOPRL1DRD2 | |
| SCHEMBL2476650 | 0.80 | HDAC6 (0.41) | CXCR4ATM | |
| SCHEMBL2472867 | 0.80 | CXCR4 (0.43) | CXCR4OPRL1DRD2DRD4DRD3 | |
| SCHEMBL30586986 | 0.80 | CXCR4 (0.43) | CXCR4OPRL1DRD2DRD4DRD3 | |
| SCHEMBL30586952 | 0.80 | CXCR4 (0.43) | CXCR4OPRL1DRD2DRD4DRD3 |
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-2374804-A1 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | Genzyme Corporation (US) | 2011-10-12 | — | — | EP | disclosed |