Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL291785 | 0.88 | CYP2D6 (0.40) | CYP2D6NR1I2LMNAADRA2AACHE | |
| SCHEMBL13309156 | 0.78 | CYP2C19 (0.41) | CYP2D6NR1I2LMNAADRA2AACHE | |
| SCHEMBL293550 | 0.70 | PPARG (0.41) | MEN1KMT2AHPGDCYP2C19CYP2C9 | |
| SCHEMBL14096717 | 0.69 | RAB9A (0.41) | CYP2D6LMNAMEN1KMT2AHPGD | |
| SCHEMBL2625111 | 0.68 | CNR2 (0.35) | KCNH2 | |
| SCHEMBL983924 | 0.66 | CYP2D6 (0.49) | CYP2D6NR1I2LMNAADRA2AACHE | |
| SCHEMBL25405708 | 0.66 | NQO1 (0.47) | CYP2D6MEN1KMT2AHPGDCYP2C19 | |
| SCHEMBL13776777 | 0.66 | CYP2C19 (0.53) | CYP2D6MEN1KMT2AHPGDCYP2C19 | |
| SCHEMBL1023160 | 0.66 | PPARG (0.53) | CYP2D6NR1I2LMNAADRA2AACHE | |
| SCHEMBL17500131 | 0.66 | MEN1 (0.50) | CYP2D6MEN1KMT2AHPGDCYP2C19 |
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-2024310-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-03-14 | — | — | EP | disclosed |