Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | IDE | P14735 | 1/20 | 0.35 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.35 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.35 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22548601 | 1.00 | CYP2C9 (0.49) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL18936298 | 1.00 | CYP2C9 (0.49) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL4099809 | 0.85 | CYP2C9 (0.51) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL4099808 | 0.85 | CYP2C9 (0.51) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL5902803 | 0.85 | CYP2C9 (0.51) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL3230226 | 0.85 | CYP2C9 (0.58) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL18936318 | 0.84 | NPSR1 (0.43) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL18936320 | 0.84 | NPSR1 (0.43) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL4737777 | 0.83 | CYP2C9 (0.46) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL2819750 | 0.82 | CYP2C9 (0.49) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 |
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 |