Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20650366 | 0.89 | PTGER1 (0.35) | CYP2D6KEAP1NFE2L2 | |
| SCHEMBL21021457 | 0.86 | LMNA (0.38) | LMNACYP2D6NR1I2ADRA2AACHE | |
| SCHEMBL20650718 | 0.85 | ALOX5 (0.35) | LMNACYP2D6SIGMAR1SLC11A2 | |
| SCHEMBL20650250 | 0.85 | SLC11A2 (0.31) | KMT2ASLC11A2 | |
| SCHEMBL20650776 | 0.83 | MCL1 (0.33) | — | |
| SCHEMBL20650398 | 0.83 | — | — | |
| SCHEMBL20650252 | 0.82 | SLC11A2 (0.30) | SLC11A2 | |
| SCHEMBL20650408 | 0.82 | TNKS (0.33) | SLC11A2 | |
| SCHEMBL20650731 | 0.82 | — | — | |
| SCHEMBL20649813 | 0.81 | MEN1 (0.35) | LMNACYP2D6NR1I2ADRA2AACHE |
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-3428152-A1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2019-01-16 | — | — | EP | disclosed |