Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 6/20 | 0.57 |
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12801634 | 0.82 | KMO (0.50) | AAK1ALDH1A1KMO | |
| SCHEMBL12448384 | 0.81 | AAK1 (0.61) | XDHAAK1 | |
| SCHEMBL12801515 | 0.79 | KMO (0.56) | XDHKMO | |
| SCHEMBL21508531 | 0.77 | AAK1 (0.44) | AAK1KMO | |
| SCHEMBL12801516 | 0.76 | DHFR (0.42) | XDHAAK1KMO | |
| SCHEMBL21508770 | 0.76 | AAK1 (0.50) | XDHAAK1KMO | |
| SCHEMBL12801571 | 0.76 | KMO (0.51) | ALDH1A1KMO | |
| SCHEMBL20446923 | 0.74 | AAK1 (0.56) | AAK1KMO | |
| SCHEMBL21508530 | 0.73 | AAK1 (0.58) | XDHAAK1 | |
| SCHEMBL21508296 | 0.73 | AAK1 (0.58) | XDHAAK1 |
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-2011046970-A1 | AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON | MYREXIS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |