Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25381783 | 0.94 | TLR4 (0.33) | TLR4MAOAMAOB | |
| SCHEMBL10976000 | 0.85 | — | — | |
| SCHEMBL169881 | 0.68 | — | — | |
| SCHEMBL37526 | 0.67 | — | — | |
| SCHEMBL10962150 | 0.66 | — | — | |
| SCHEMBL7050619 | 0.65 | TLR4 (0.31) | TLR4 | |
| SCHEMBL486040 | 0.64 | TLR4 (0.35) | TLR4 | |
| SCHEMBL8750616 | 0.64 | — | — | |
| SCHEMBL2496557 | 0.63 | ALDH1A1 (0.38) | TLR4 | |
| SCHEMBL5880908 | 0.62 | — | — |
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-2007051622-A1 | LEAD STRUCTURES FOR CYTOSTATIC COMPOUNDS BASED ON SPIRO COMPOUNDS | Ernst-Moritz-Arndt-Universität Greifswald (DE) | 2007-05-10 | — | — | WO | disclosed |