Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5362273 | 0.87 | — | — | |
| SCHEMBL3949908 | 0.86 | PIM1 (0.36) | ALDH1A1KDM4EKMT2ACYP2C19CYP3A4 | |
| SCHEMBL3955016 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KDM4EKMT2ACYP2C19CYP3A4 | |
| SCHEMBL2560381 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KDM4EKMT2ACYP2C19CYP3A4 | |
| SCHEMBL154974 | 0.79 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2ACYP2C19CYP3A4 | |
| SCHEMBL235856 | 0.79 | — | — | |
| SCHEMBL13833159 | 0.79 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2ACYP2C19CYP3A4 | |
| SCHEMBL3971866 | 0.79 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2ACYP2C19CYP3A4 | |
| SCHEMBL2561862 | 0.78 | SIGMAR1 (0.46) | ALDH1A1KDM4EKMT2ACYP3A4MEN1 | |
| SCHEMBL28356843 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4EKMT2ACYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017046036-A1 | COMPOUNDS FOR THE MODULATION OF RIP2 KINASE ACTIVITY | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-03-23 | — | — | WO | disclosed |
| WO-2009024825-A1 | 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | WO | disclosed |