Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PAICS | P22234 | 1/20 | 0.34 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1482270 | 0.91 | SMN1; SMN2 (0.36) | KCNH2KMT2AKDM4EHSD17B10GAA | |
| SCHEMBL1496898 | 0.90 | HDAC3 (0.38) | KMT2ADYRK1AHDAC3HDAC2KDM4E | |
| SCHEMBL1496891 | 0.88 | FGFR1 (0.38) | KMT2AMAP3K7 | |
| SCHEMBL1497137 | 0.86 | HDAC3 (0.39) | CYP1A2CYP2C18CYP2C19KCNH2KMT2A | |
| SCHEMBL1496936 | 0.84 | CYP1A2 (0.38) | CYP1A2CYP2C18CYP2C19KCNH2DYRK1A | |
| SCHEMBL4234525 | 0.83 | HDAC1 (0.41) | KMT2AHDAC3HDAC2KDM4EHSD17B10 | |
| SCHEMBL1497031 | 0.82 | AKT1 (0.35) | CYP1A2CYP2C18CYP2C19KCNH2 | |
| SCHEMBL4229607 | 0.82 | HDAC1 (0.43) | KMT2ADYRK1AHDAC3HDAC2KDM4E | |
| SCHEMBL1497209 | 0.82 | ALDH1A1 (0.41) | KMT2AKDM4EHSD17B10GAA | |
| SCHEMBL1497050 | 0.81 | ALDH1A1 (0.40) | KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2292611-A1 | NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE | Santen Pharmaceutical Co., Ltd (JP) | 2011-03-09 | — | — | EP | disclosed |