Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25588431 | 0.77 | RXRA (0.39) | AAK1MEN1KMT2AHRH4 | |
| SCHEMBL28159342 | 0.76 | ALDH1A1 (0.35) | ALDH1A1HDAC1HDAC6PIK3CA | |
| SCHEMBL15999367 | 0.76 | NUDT1 (0.42) | AAK1CYP2C19CYP17A1CYP2C9CNR2 | |
| SCHEMBL16398534 | 0.76 | NUDT1 (0.42) | ALDH1A1PIK3CAMEN1KMT2AHRH4 | |
| SCHEMBL15274637 | 0.73 | HRH4 (0.35) | AAK1TRPV3HRH4 | |
| SCHEMBL28159759 | 0.72 | RXRA (0.34) | TRPV3ALDH1A1CYP2C19CYP2C9PIK3CA | |
| SCHEMBL12190563 | 0.71 | SORD (0.39) | AAK1CYP1A2HRH4 | |
| SCHEMBL23542736 | 0.70 | AAK1 (0.35) | AAK1HRH4 | |
| SCHEMBL2632658 | 0.70 | IDH1 (0.42) | CYP2C19HRH4 | |
| SCHEMBL8819724 | 0.70 | HRH4 (0.35) | AAK1HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105263923-B | Pyrimidine compounds and their use as gamma secretase modulators | 阿克图拉姆生命科学股份公司 | 2017-06-23 | — | — | CN | disclosed |