Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943838 | 0.89 | BACE1 (0.58) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL27895731 | 0.87 | ACHE (0.59) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL156415 | 0.87 | ACHE (0.67) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL10500821 | 0.85 | ACHE (0.58) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL18082888 | 0.85 | BACE1 (0.58) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL14492265 | 0.83 | CXCR4 (0.62) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL12444 | 0.83 | BACE1 (0.56) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL17967809 | 0.83 | BCHE (0.56) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL6524716 | 0.83 | CXCR4 (0.58) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL13202585 | 0.83 | ACHE (0.67) | BACE1ACHECXCR4ALDH1A1KDM4E |
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-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |