Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12410776 | 0.74 | LMNA (0.52) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL27808082 | 0.73 | MAPK1 (0.46) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL3086107 | 0.69 | LMNA (0.42) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL3086104 | 0.69 | LMNA (0.42) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL1178748 | 0.68 | MAPK1 (0.44) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL16608839 | 0.68 | LMNA (0.46) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL12411160 | 0.67 | CYP1A2 (0.56) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL12411157 | 0.66 | HRH4 (0.51) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL12410906 | 0.66 | GAA (0.52) | GAALMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL12411156 | 0.66 | LMNA (0.49) | GAALMNACYP1A2CYP2C19NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101970430-B | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2013-05-08 | — | — | CN | disclosed |
| CN-101970430-A | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-09 | — | — | CN | disclosed |