Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | FABP4 | P15090 | 3/20 | 0.44 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.44 |
| ▸ | FABP3 | P05413 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 7/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.41 |
| ▸ | MAOA | P21397 | 5/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21429444 | 0.81 | GRIN1 (0.33) | CYP1A2CYP2C19FABP4FABP5FABP3 | |
| SCHEMBL6468350 | 0.81 | GPR3 (0.41) | CYP1A2CYP2C19GPR3KDM4ECYP19A1 | |
| SCHEMBL6468879 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C19FABP4FABP5FABP3 | |
| SCHEMBL1128490 | 0.79 | FABP4 (0.50) | CYP1A2CYP2C19FABP4FABP5FABP3 | |
| SCHEMBL21429608 | 0.79 | FABP3 (0.31) | CYP1A2CYP2C19FABP4FABP5FABP3 | |
| SCHEMBL22894392 | 0.78 | PGR (0.44) | CYP1A2CYP2C19GPR3KDM4E | |
| SCHEMBL24644453 | 0.76 | PGR (0.42) | CYP1A2CYP2C19GPR3KDM4E | |
| SCHEMBL18014692 | 0.76 | FABP4 (0.51) | CYP1A2CYP2C19FABP4FABP5GRIN1 | |
| SCHEMBL9768532 | 0.75 | CYP1A2 (0.70) | CYP1A2CYP2C19FABP4FABP5FABP3 | |
| SCHEMBL19901140 | 0.75 | GPR3 (0.43) | CYP1A2CYP2C19GPR3KDM4ECYP19A1 |
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-2019190235-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2019-10-03 | — | — | WO | disclosed |