Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.82 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL4731563 | 0.98 | ALOX15 (0.79) | ALOX15SIGMAR1HTR1DHTR1BCXCR4 | |
| SCHEMBL27623214 | 0.92 | ALOX15 (0.70) | ALOX15SIGMAR1HTR1DHTR1BCXCR4 | |
| SCHEMBL15329166 | 0.91 | ALOX15 (1.00) | ALOX15SIGMAR1HTR1DHTR1BEGLN1 | |
| SCHEMBL1953418 | 0.83 | ALOX15 (0.85) | ALOX15HTR1DHTR1BTDP1HRH3 | |
| SCHEMBL4515060 | 0.83 | ALOX15 (0.85) | ALOX15HTR1DHTR1BTDP1HRH3 | |
| SCHEMBL5151262 | 0.82 | ALOX15 (0.82) | ALOX15HTR1DHTR1BCXCR4KMT2A | |
| SCHEMBL18325377 | 0.81 | ALOX15 (0.81) | ALOX15HTR1DHTR1BTDP1HRH3 | |
| SCHEMBL807358 | 0.81 | ALOX15 (0.81) | ALOX15HTR1DHTR1BTDP1HRH3 | |
| SCHEMBL27278945 | 0.81 | ALOX15 (0.53) | ALOX15SIGMAR1HTR1DHTR1BTAAR1 | |
| SCHEMBL6484067 | 0.80 | ALOX15 (0.79) | ALOX15HTR1DHTR1BTDP1EGLN1 |
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-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |