Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | 0.78 | LMNA (0.52) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL12411179 | 0.75 | L3MBTL1 (0.52) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL1180045 | 0.75 | MAPK1 (0.47) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL3097555 | 0.75 | MAPK1 (0.47) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL16608839 | 0.74 | LMNA (0.46) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL3094255 | 0.73 | MAPK1 (0.59) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL28790815 | 0.73 | GAA (0.38) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL27903660 | 0.73 | NOS3 (0.41) | MAPK1CYP1A2LMNAALDH1A1MAPT | |
| SCHEMBL12411159 | 0.72 | NOS3 (0.48) | MAPK1CYP1A2CYP2C19LMNANPSR1 | |
| SCHEMBL12411157 | 0.69 | HRH4 (0.51) | MAPK1CYP1A2CYP2C19LMNANPSR1 |
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 |