Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 9/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL336215 | 1.00 | CXCR4 (0.41) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL6861531 | 0.97 | CXCR4 (0.39) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL9118993 | 0.97 | CXCR4 (0.44) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL948605 | 0.97 | CXCR4 (0.39) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL10316738 | 0.94 | CXCR4 (0.41) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL21974068 | 0.94 | CXCR4 (0.41) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL6320299 | 0.91 | ALDH1A1 (0.44) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL336034 | 0.90 | CXCR4 (0.50) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL2517620 | 0.90 | CXCR4 (0.50) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 | |
| SCHEMBL7223038 | 0.89 | CXCR4 (0.35) | CXCR4SMN1; SMN2ALDH1A1TDP1MEN1 |
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-2476683-B1 | NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF | KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) | 2019-04-03 | — | — | EP | disclosed |