Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10442551 | 0.82 | CYP2A6 (0.63) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL14944882 | 0.80 | CYP2A6 (0.64) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL156931 | 0.77 | CYP2A6 (0.69) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL9883963 | 0.74 | CYP2A6 (0.65) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL246112 | 0.74 | CYP2A6 (0.69) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL4418009 | 0.72 | CYP2A6 (0.71) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL8435709 | 0.72 | CYP2A6 (0.61) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL7749363 | 0.71 | CYP2A6 (0.52) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL8291172 | 0.71 | CYP2A6 (0.56) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL28566073 | 0.71 | KEAP1 (0.66) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 |
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-2009051746-A1 | PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-04-23 | — | — | WO | disclosed |