Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 2/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | NAAA | Q02083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544455 | 0.94 | SIGMAR1 (0.47) | SIGMAR1HRH3CXCR4SMN1; SMN2RAD52 | |
| SCHEMBL9001513 | 0.92 | SIGMAR1 (0.45) | SIGMAR1HRH3CXCR4SMN1; SMN2RAD52 | |
| SCHEMBL4573782 | 0.85 | HRH3 (0.47) | SIGMAR1HRH3APLNRRAD52HRH4 | |
| SCHEMBL11535998 | 0.84 | SIGMAR1 (0.45) | SIGMAR1RAD52 | |
| SCHEMBL30969422 | 0.84 | CXCR4 (0.45) | HRH3CXCR4SMN1; SMN2HRH4NAAA | |
| SCHEMBL4661088 | 0.84 | — | — | |
| SCHEMBL21184639 | 0.83 | SIGMAR1 (0.50) | SIGMAR1HRH3APLNRRAD52HRH4 | |
| SCHEMBL30161367 | 0.82 | CXCR4 (0.43) | SIGMAR1HRH3CXCR4SMN1; SMN2HRH4 | |
| SCHEMBL5012792 | 0.80 | — | — | |
| SCHEMBL197822 | 0.79 | SIGMAR1 (0.55) | SIGMAR1HRH3RAD52HRH4NAAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009115644-A1 | LANTHANIDE(III) CHELATES COMPRISING BETA-DIKETONES AND CONJUGATES DERIVED THEREOF | WALLAC OY (FI) | 2009-09-24 | — | — | WO | disclosed |