Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12473 | 0.91 | BCHE (0.54) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL12197 | 0.84 | GBA1 (0.55) | BACE1ACHEALDH1A1KDM4EMAPT | |
| SCHEMBL15160161 | 0.84 | HTR7 (0.46) | ACHEALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL27895731 | 0.83 | ACHE (0.59) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL12447 | 0.83 | BACE1 (0.59) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL156415 | 0.83 | ACHE (0.67) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL8096431 | 0.82 | ACHE (0.66) | BACE1ACHEBCHEMEN1KMT2A | |
| SCHEMBL6943838 | 0.81 | BACE1 (0.58) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL10500821 | 0.81 | ACHE (0.58) | BACE1ACHECXCR4ALDH1A1KDM4E | |
| SCHEMBL18082888 | 0.81 | BACE1 (0.58) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |