Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL15597145 | 1.00 | CYP2D6 (0.33) | CYP2D6HTR2CSLC6A4MEN1GAA | |
| SCHEMBL13779828 | 0.83 | CYP2D6 (0.33) | CYP2D6HDAC6HDAC1HDAC2CA1 | |
| SCHEMBL15597130 | 0.83 | CYP2D6 (0.33) | CYP2D6HDAC6HDAC1HDAC2CA1 | |
| SCHEMBL17898137 | 0.82 | MEN1 (0.34) | HTR2CSLC6A4MEN1GAAKMT2A | |
| SCHEMBL10473405 | 0.82 | MEN1 (0.34) | HTR2CSLC6A4MEN1GAAKMT2A | |
| SCHEMBL14750621 | 0.82 | MEN1 (0.34) | HTR2CSLC6A4MEN1GAAKMT2A | |
| SCHEMBL23134818 | 0.82 | MAPK1 (0.35) | CYP2D6HTR2CSLC6A4HDAC6HDAC1 | |
| SCHEMBL20215933 | 0.82 | MAPK1 (0.35) | CYP2D6HTR2CSLC6A4HDAC6HDAC1 | |
| SCHEMBL22916149 | 0.81 | CA14 (0.33) | CYP2D6HDAC6HDAC1HDAC2CA1 | |
| SCHEMBL1447140 | 0.80 | HDAC6 (0.36) | CYP2D6HTR2CSLC6A4MEN1GAA |
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-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |