Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21742074 | 0.90 | HDAC6 (0.40) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21742250 | 0.87 | CYP2D6 (0.40) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21742177 | 0.85 | AHR (0.38) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21742083 | 0.85 | CHRM2 (0.44) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21742341 | 0.81 | SMN1; SMN2 (0.43) | CYP1A2CYP2C19CYP2D6SMN1; SMN2L3MBTL1 | |
| SCHEMBL19573802 | 0.80 | SMN1; SMN2 (0.44) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21788784 | 0.80 | SMN1; SMN2 (0.44) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21742269 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21742282 | 0.78 | CHRM2 (0.46) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21742030 | 0.77 | SMN1; SMN2 (0.41) | CYP1A2CYP2C19CYP2D6CYP2C9CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3611164-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |