Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.33 |
| ▸ | KLK7 | P49862 | 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 | |
|---|---|---|---|---|
| SCHEMBL10270029 | 0.92 | GSK3B (0.36) | CYP2C19GSK3BGSK3ADPP4CYP3A4 | |
| SCHEMBL12680872 | 0.90 | MAP3K8 (0.35) | ALDH1A1CYP1A2CYP2C19ALOX15TSHR | |
| SCHEMBL10270558 | 0.87 | KLK7 (0.37) | ALDH1A1CYP2C19CYP2A13SLC2A2GSK3B | |
| SCHEMBL10270036 | 0.86 | GSK3B (0.38) | ALDH1A1CYP1A2CYP2C19ALOX15TSHR | |
| SCHEMBL12680875 | 0.83 | GSK3B (0.49) | ALDH1A1CYP1A2CYP2C19ALOX15TSHR | |
| SCHEMBL3602205 | 0.83 | GSK3B (0.47) | ALDH1A1CYP1A2CYP2C19ALOX15TSHR | |
| SCHEMBL10270758 | 0.82 | GSK3B (0.34) | CYP2C19GSK3BGSK3ADPP4CYP3A4 | |
| SCHEMBL10270189 | 0.82 | GSK3B (0.36) | ALDH1A1CYP1A2CYP2C19GSK3BGSK3A | |
| SCHEMBL12680879 | 0.82 | CNR1 (0.35) | GSK3BGSK3AKDM4EMAPTDPP4 | |
| SCHEMBL10270191 | 0.81 | ALOX5AP (0.39) | ALDH1A1KDM4EADORA1 |
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-2137188-B1 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | Bayer Pharma AG (DE) | 2012-06-06 | — | — | EP | disclosed |
| WO-2008113469-A2 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-09-25 | — | — | WO | disclosed |