Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4518803 | 0.87 | NOS2 (0.41) | NOS2GRIN2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL12935360 | 0.86 | CCR5 (0.41) | KMT2AMEN1ALDH1A1KCNH2KDM4E | |
| SCHEMBL2084702 | 0.83 | CXCR4 (0.41) | NOS2GRIN2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL2082179 | 0.83 | GPR119 (0.51) | KMT2AMEN1 | |
| SCHEMBL2084919 | 0.83 | TDP1 (0.42) | NOS2GRIN2BKMT2AKCNH2KDM4E | |
| Hydroxyamine SCHEMBL4518793 | 0.82 | CCR5 (0.43) | GRIN2BKMT2AMEN1KCNH2KDM4E | |
| SCHEMBL4535370 | 0.82 | CCR5 (0.44) | NOS2KMT2AMEN1KCNH2KDM4E | |
| SCHEMBL2081000 | 0.82 | TDP1 (0.47) | KCNH2CCR5CXCR4 | |
| SCHEMBL2082352 | 0.81 | SMO (0.43) | GRIN2BKMT2AMEN1KCNH2KDM4E | |
| SCHEMBL2086100 | 0.81 | TRPV1 (0.42) | NOS2GRIN2BKMT2AKCNH2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | claimed |
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |