Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15212175 | 0.84 | NFE2L2 (0.39) | KIF11KCNH2SMN1; SMN2NFE2L2ABCB1 | |
| SCHEMBL6855010 | 0.83 | L3MBTL1 (0.39) | KIF11KCNH2SMN1; SMN2NFE2L2ABCB1 | |
| SCHEMBL27938323 | 0.80 | SMN1; SMN2 (0.40) | KIF11KCNH2SMN1; SMN2NFE2L2CYP3A4 | |
| SCHEMBL5133757 | 0.80 | NFE2L2 (0.40) | SMN1; SMN2NFE2L2ABCB1ABCG2NR3C2 | |
| SCHEMBL7541639 | 0.80 | KIF11 (0.40) | KIF11KCNH2SMN1; SMN2NFE2L2NPC1 | |
| SCHEMBL15212075 | 0.78 | CNR1 (0.35) | KIF11KCNH2SMN1; SMN2NFE2L2ABCB1 | |
| SCHEMBL5859593 | 0.77 | KIF11 (0.40) | KIF11CNR1CNR2NPC1RAB9A | |
| SCHEMBL27903876 | 0.74 | NFE2L2 (0.42) | KCNH2SMN1; SMN2NFE2L2ABCB1ABCG2 | |
| SCHEMBL7646522 | 0.74 | NR3C2 (0.38) | SMN1; SMN2NFE2L2ABCB1ABCG2CNR1 | |
| SCHEMBL16675115 | 0.74 | NFE2L2 (0.45) | SMN1; SMN2NFE2L2ABCB1ABCG2ALDH1A1 |
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 |