Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PTPRA | P18433 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5929590 | 1.00 | CYP1A2 (0.53) | CYP1A2ALDH1A1PTPRAMEN1GAA | |
| SCHEMBL6980041 | 0.82 | ALDH1A1 (0.51) | CYP1A2ALDH1A1PTPRAMEN1GAA | |
| SCHEMBL1051993 | 0.82 | ALDH1A1 (0.51) | CYP1A2ALDH1A1PTPRAMEN1GAA | |
| SCHEMBL2680153 | 0.79 | ALDH1A1 (0.55) | CYP1A2ALDH1A1PTPRAMEN1GAA | |
| SCHEMBL5929562 | 0.79 | CYP3A4 (0.49) | CYP1A2ALDH1A1PTPRAMEN1GAA | |
| SCHEMBL19267203 | 0.77 | KCNA5 (0.48) | CYP1A2ALDH1A1MEN1GAAKMT2A | |
| SCHEMBL7056950 | 0.77 | LMNA (0.52) | ALDH1A1MEN1GAAKMT2AKDM4E | |
| SCHEMBL687445 | 0.77 | LMNA (0.52) | ALDH1A1MEN1GAAKMT2AKDM4E | |
| SCHEMBL295743 | 0.77 | LMNA (0.52) | ALDH1A1MEN1GAAKMT2AKDM4E | |
| SCHEMBL506917 | 0.76 | KCNA5 (0.52) | CYP1A2ALDH1A1MEN1GAAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |