Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.33 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.33 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3657282 | 0.83 | KDM4E (0.36) | GSK3BMAPTKDM4ERAPGEF4AURKA | |
| SCHEMBL3021544 | 0.83 | KDM4E (0.34) | GSK3BMAPTKDM4ERAPGEF4KCNJ6 | |
| SCHEMBL3030717 | 0.80 | KDM4E (0.36) | GSK3BMAPTKDM4ERAPGEF4AURKA | |
| SCHEMBL3032743 | 0.77 | PPARG (0.32) | GSK3BMAPTKDM4EKCNJ6KCNJ5 | |
| SCHEMBL3655458 | 0.76 | KDM4E (0.34) | GSK3BMAPTKDM4EAURKAAURKB | |
| SCHEMBL3032363 | 0.74 | KDM4E (0.34) | GSK3BMAPTKDM4EKCNJ6KCNJ5 | |
| SCHEMBL3025071 | 0.74 | PSEN1 (0.38) | GSK3BKCNJ6KCNJ5KCNJ3JAK2 | |
| SCHEMBL3656602 | 0.66 | JAK2 (0.39) | GSK3BKCNH2JAK2 | |
| SCHEMBL862180 | 0.66 | TDO2 (0.49) | GSK3BFLT3 | |
| SCHEMBL3027938 | 0.65 | GRIN1 (0.33) | KDM4ENPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2212309-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | Janssen Pharmaceutica N.V. (BE) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009050186-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-23 | — | — | WO | disclosed |