Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CTSC | P53634 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16139975 | 0.93 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL16376134 | 0.93 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL16015165 | 0.93 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL16015166 | 0.93 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL12333752 | 0.93 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL13974186 | 0.82 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL976838 | 0.77 | RECQL (0.62) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL7313737 | 0.77 | RECQL (0.62) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL7313727 | 0.77 | RECQL (0.62) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL24056571 | 0.77 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9981935-B2 | Formation of chiral 4-chromanones using chiral pyrrolidines in the presence of acids | DSM IP ASSETS B.V. (NL) | 2018-05-29 | — | — | US | disclosed |