Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.46 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721096 | 0.78 | IDH1 (0.46) | MAPK14 | |
| SCHEMBL3723229 | 0.76 | ADORA1 (0.48) | ADORA1ADORA3ADORA2AKDM4EALDH1A1 | |
| SCHEMBL3721197 | 0.75 | ADORA1 (0.51) | ADORA1ADORA3ADORA2AKDM4EHPGD | |
| SCHEMBL3719658 | 0.73 | DYRK1A (0.49) | ADORA1ADORA3ADORA2AKDM4EALDH1A1 | |
| SCHEMBL3717907 | 0.73 | CLK4 (0.52) | ADORA1ADORA3ADORA2AKDM4EALDH1A1 | |
| SCHEMBL3725579 | 0.73 | DYRK1A (0.65) | ADORA1ADORA3ADORA2AKDM4EALDH1A1 | |
| SCHEMBL3723906 | 0.73 | PTGS2 (0.51) | ADORA1ADORA3KDM4EALDH1A1GAA | |
| SCHEMBL3724659 | 0.73 | DYRK1A (0.51) | ADORA1ADORA3ADORA2AMEN1KMT2A | |
| SCHEMBL3722007 | 0.72 | CLK4 (0.71) | KDM4EALDH1A1GAAHPGDPOLB | |
| SCHEMBL3720589 | 0.69 | CLK4 (0.48) | ADORA1ADORA3ADORA2AKDM4EALDH1A1 |
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-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |