Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.42 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL1406245 | 1.00 | NPSR1 (0.42) | NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL18936287 | 0.87 | NPSR1 (0.40) | NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL18936289 | 0.87 | NPSR1 (0.40) | NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL12947626 | 0.85 | CYP2C9 (0.47) | NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL961668 | 0.85 | CYP2C9 (0.47) | NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL961667 | 0.85 | CYP2C9 (0.47) | NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL18936290 | 0.85 | ALDH1A1 (0.33) | NPSR1ALDH1A1MAPT | |
| SCHEMBL18936292 | 0.85 | ALDH1A1 (0.33) | NPSR1ALDH1A1MAPT | |
| SCHEMBL19040976 | 0.84 | MLYCD (0.32) | — | |
| SCHEMBL1406532 | 0.83 | NPSR1 (0.42) | NPSR1GLO1CYP2D6ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3178813-A1 | METHOD FOR PREPARING HALOGENATED 3-OXOCARBOXYLATES CARRYING A 2-ALKOXYMETHYLIDENE OR A 2-DIALKYLAMINOMETHYLIDENE GROUP | BASF SE (DE) | 2017-06-14 | — | — | EP | disclosed |