Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 6/20 | 0.56 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12448385 | 0.83 | KMO (0.54) | KMOXDH | |
| SCHEMBL14764257 | 0.79 | IKBKE (0.56) | XDH | |
| SCHEMBL12801634 | 0.79 | KMO (0.50) | KMO | |
| SCHEMBL12801517 | 0.79 | XDH (0.57) | KMOXDH | |
| SCHEMBL12801501 | 0.77 | KMO (0.47) | KMO | |
| SCHEMBL12801516 | 0.75 | DHFR (0.42) | KMOXDH | |
| SCHEMBL12801571 | 0.75 | KMO (0.51) | KMO | |
| SCHEMBL23466495 | 0.73 | HTR2C (0.56) | — | |
| SCHEMBL29757994 | 0.73 | HTR2C (0.56) | — | |
| SCHEMBL8042384 | 0.72 | ALDH1A1 (0.49) | KMO |
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 |