Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6708485 | 0.83 | GPR3 (0.48) | GPR3CYP1A2CYP2C19POLBKDM4E | |
| SCHEMBL6708483 | 0.83 | GPR3 (0.48) | GPR3CYP1A2CYP2C19POLBKDM4E | |
| SCHEMBL7193414 | 0.83 | GPR3 (0.48) | GPR3CYP1A2CYP2C19POLBKDM4E | |
| SCHEMBL14901670 | 0.80 | GPR3 (0.37) | GPR3CYP1A2CYP2C19POLBKDM4E | |
| SCHEMBL19850391 | 0.79 | HSD17B10 (0.35) | KDM4EL3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL1581456 | 0.73 | GPR3 (0.52) | GPR3CYP1A2CYP2C19POLBKDM4E | |
| SCHEMBL24303141 | 0.70 | — | — | |
| SCHEMBL2457083 | 0.69 | GPR3 (0.48) | GPR3CYP1A2CYP2C19POLBKDM4E | |
| SCHEMBL2457082 | 0.69 | GPR3 (0.48) | GPR3CYP1A2CYP2C19POLBKDM4E | |
| SCHEMBL19823539 | 0.69 | POLB (0.38) | GPR3CYP1A2CYP2C19POLBKDM4E |
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-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |