Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.43 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28260827 | 1.00 | RELA (0.55) | RELAPTGS1CYP1A2CYP2A6NQO2 | |
| SCHEMBL18057573 | 0.82 | RELA (0.41) | RELAPTGS1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL3835354 | 0.82 | RELA (0.52) | RELAPTGS1CYP1A2CYP2A6NQO2 | |
| SCHEMBL8668861 | 0.81 | RAB9A (0.51) | RELAPTGS1CYP1A2CYP2A6NQO2 | |
| SCHEMBL27536047 | 0.79 | CYP1A1 (0.52) | CYP1A2MAPTRAB9AKDM4E | |
| SCHEMBL6960280 | 0.79 | CYP3A4 (0.52) | RELAPTGS1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL6958821 | 0.79 | CYP3A4 (0.52) | RELAPTGS1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL27513324 | 0.79 | CYP1A1 (0.52) | CYP1A2MAPTRAB9AKDM4E | |
| SCHEMBL6958816 | 0.79 | CYP3A4 (0.52) | RELAPTGS1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL5552162 | 0.77 | RELA (0.86) | RELAPTGS1CYP1A2NQO2ALDH1A1 |
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-2349999-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | Universität des Saarlandes (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043711-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIVERSITAET DES SAARLANDES (DE) | 2010-04-22 | — | — | WO | disclosed |