Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4025300 | 0.88 | CYP2C19 (0.41) | CYP2C19CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL18932722 | 0.85 | CYP2C19 (0.44) | CYP2C19CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL28510350 | 0.85 | CYP2C19 (0.44) | CYP2C19CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL4029333 | 0.85 | CYP2C19 (0.44) | CYP2C19CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL28508861 | 0.77 | CYP2C19 (0.37) | CYP2C19CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL18932721 | 0.77 | CYP2C19 (0.37) | CYP2C19CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL276016 | 0.73 | TLR4 (0.51) | CYP2D6HTTTLR4ALDH1A1MEN1 | |
| SCHEMBL2470785 | 0.73 | TLR4 (0.51) | CYP2D6HTTTLR4ALDH1A1MEN1 | |
| SCHEMBL17339166 | 0.72 | CYP2C9 (0.38) | CYP2C19CYP3A4CYP2D6ALDH1A1MEN1 | |
| SCHEMBL7392059 | 0.71 | TLR4 (0.50) | CYP2D6TLR4ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009098251-A1 | NOVEL CYCLOALKANONE β-SUBSTITUTED ALANINE DERIVATIVES | DSM IP ASSETS B.V. (NL) | 2009-08-13 | — | — | WO | disclosed |