Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15212075 | 0.90 | CNR1 (0.35) | NFE2L2SMN1; SMN2CNR1CNR2KIF11 | |
| SCHEMBL6855010 | 0.87 | L3MBTL1 (0.39) | NFE2L2SMN1; SMN2CNR1CNR2KIF11 | |
| SCHEMBL15212062 | 0.84 | KIF11 (0.40) | NFE2L2SMN1; SMN2CNR1CNR2KIF11 | |
| SCHEMBL5133757 | 0.83 | NFE2L2 (0.40) | NFE2L2SMN1; SMN2ABCB1ABCG2CA12 | |
| SCHEMBL27938323 | 0.83 | SMN1; SMN2 (0.40) | NFE2L2SMN1; SMN2KIF11KCNH2ABCB1 | |
| SCHEMBL7541639 | 0.83 | KIF11 (0.40) | NFE2L2SMN1; SMN2KIF11KCNH2NPC1 | |
| SCHEMBL7646522 | 0.80 | NR3C2 (0.38) | NFE2L2SMN1; SMN2CNR1CNR2ABCB1 | |
| Lithium SCHEMBL29904177 | 0.78 | SMN1; SMN2 (0.41) | NFE2L2SMN1; SMN2CNR1CNR2KIF11 | |
| SCHEMBL27903876 | 0.78 | NFE2L2 (0.42) | NFE2L2SMN1; SMN2KCNH2ABCB1ABCG2 | |
| SCHEMBL16675115 | 0.77 | NFE2L2 (0.45) | NFE2L2SMN1; SMN2ABCB1ABCG2CA12 |
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-2013126034-A1 | SYNTHESIS OF HIGH PURITY DMT-C3-DISULFIDE PHOSPHORAMIDITE | CHEMGENES CORPORATION (US) | 2013-08-29 | — | — | WO | disclosed |