Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.35 |
| ▸ | HTR3B | O95264 | 4/20 | 0.35 |
| ▸ | HTR3A | P46098 | 4/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL12668966 | 0.86 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP2C19HTR3EHTR3B | |
| SCHEMBL12669697 | 0.81 | SMN1; SMN2 (0.53) | ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL13315953 | 0.70 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C19PDE4APDE4B | |
| SCHEMBL12667302 | 0.67 | CHEK1 (0.55) | ALDH1A1CYP1A2CNR2KDM4EKMT2A | |
| SCHEMBL13315956 | 0.66 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19LMNACNR2 | |
| SCHEMBL20607510 | 0.64 | CHEK1 (0.47) | ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL13315954 | 0.63 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19PDE4APDE4B | |
| SCHEMBL12668951 | 0.62 | CHEK1 (0.51) | CYP1A2CNR2KDM4EKMT2AMEN1 | |
| SCHEMBL30910244 | 0.62 | CNR1 (0.49) | CYP1A2CYP2C19CNR2KMT2AMEN1 | |
| SCHEMBL218310 | 0.61 | CNR2 (0.73) | CNR2CNR1 |
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-2011060036-A1 | BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2011-05-19 | — | — | WO | disclosed |