Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2536091 | 0.83 | MAOA (0.57) | CYP2C19CYP3A4HPGDATMHDAC4 | |
| SCHEMBL16952743 | 0.83 | CYP2C19 (0.43) | CYP2C19CYP3A4HPGDATMHDAC4 | |
| SCHEMBL29467074 | 0.83 | MAOA (0.57) | CYP2C19CYP3A4HPGDATMHDAC4 | |
| SCHEMBL10972329 | 0.81 | MAPT (0.59) | CYP2C19CYP3A4GPR3ALDH1A1MAPT | |
| SCHEMBL126286 | 0.77 | KDM4E (0.61) | CYP2C19CYP3A4HDAC4MEF2DALDH1A1 | |
| SCHEMBL16960009 | 0.77 | PIM1 (0.49) | HPGDGPR3ALDH1A1MAPTGAA | |
| SCHEMBL4719177 | 0.77 | APP (0.50) | CYP2C19CYP3A4GPR3ALDH1A1MAPT | |
| SCHEMBL16954463 | 0.76 | MAPT (0.46) | CYP2C19CYP3A4HPGDATMGPR3 | |
| SCHEMBL16958059 | 0.75 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2MEN1GAA | |
| SCHEMBL2539612 | 0.74 | MAOA (0.70) | MAOBMAOA |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |