Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1073301 | 0.86 | POLB (0.41) | PIK3CAGRM5NPC1CASP3RAB9A | |
| SCHEMBL1072687 | 0.86 | PDE2A (0.40) | PIK3CAGRM5NPC1CASP3RAB9A | |
| SCHEMBL1075316 | 0.82 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1908079 | 0.81 | MALT1 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1075318 | 0.79 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1082336 | 0.77 | PDE2A (0.40) | PIK3CAGRM5NPC1CASP3RAB9A | |
| SCHEMBL1075932 | 0.77 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1074391 | 0.76 | LMNA (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1224506 | 0.75 | PDE10A (0.35) | GRM5NPC1CASP3RAB9ASENP8 | |
| SCHEMBL1075463 | 0.74 | POLB (0.41) | PIK3CAGRM5GRM1POLBKDM4E |
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-2011056463-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-05-12 | — | — | WO | disclosed |