Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | CD40 | P25942 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.42 |
| ▸ | ITGAV | P06756 | 7/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 2/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL24049285 | 0.95 | KEAP1 (0.46) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL16508333 | 0.95 | KEAP1 (0.46) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL19365027 | 0.95 | KEAP1 (0.46) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL19102256 | 0.91 | ITGB3 (0.47) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL21186414 | 0.91 | ITGB3 (0.47) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL17955327 | 0.91 | ITGB3 (0.46) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL21906961 | 0.91 | ITGB3 (0.47) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL21907357 | 0.91 | KEAP1 (0.46) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL16508328 | 0.91 | ITGB3 (0.47) | CXCR4CD40ITGB3ITGAVITGB1 | |
| SCHEMBL21906949 | 0.90 | ITGB3 (0.46) | CXCR4CD40ITGB3ITGAVITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9701694-B2 | Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals | THE UNIVERSITY OF MELBOURNE (AU) | 2017-07-11 | — | — | US | disclosed |