Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 4/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | COMT | P21964 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27754726 | 0.76 | HSP90AA1 (0.42) | KDM4E | |
| SCHEMBL18622292 | 0.74 | SCN4A (0.54) | HCAR2HPGDSSCN4APDPK1POLB | |
| SCHEMBL28051951 | 0.74 | CYP4F2 (0.43) | HCAR2HPGDSIDO1BCAT2 | |
| SCHEMBL28663523 | 0.72 | CDC7 (0.33) | KDM4ECDC7 | |
| SCHEMBL27920597 | 0.72 | CDK5 (0.46) | AURKAAURKB | |
| SCHEMBL31229372 | 0.72 | CYP4F2 (0.50) | HCAR2HPGDSSCN4AKDM4EALDH1A1 | |
| SCHEMBL1921676 | 0.70 | NOS2 (0.44) | KDM4E | |
| SCHEMBL17791787 | 0.69 | HCAR2 (0.61) | HCAR2HPGDSSCN4APDPK1POLB | |
| SCHEMBL16877067 | 0.69 | GSK3B (0.50) | PDPK1JAK2KDM4ENPC1ALDH1A1 | |
| SCHEMBL16433080 | 0.69 | — | — |
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-2411011-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | MSD K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111056-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-09-30 | — | — | WO | disclosed |