Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.32 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20650776 | 0.88 | MCL1 (0.33) | ELANEMCL1 | |
| SCHEMBL21019983 | 0.85 | TNKS (0.34) | TNKSTNKS2PARP2ELANEMCL1 | |
| SCHEMBL20650505 | 0.85 | EPHX2 (0.40) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL20650813 | 0.85 | CYP1A1 (0.32) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL20650300 | 0.85 | MCL1 (0.34) | MCL1 | |
| SCHEMBL20650256 | 0.85 | EPHX2 (0.33) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL20650298 | 0.84 | MCL1 (0.33) | MCL1 | |
| SCHEMBL20650354 | 0.84 | CYP1A1 (0.32) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL20650366 | 0.84 | PTGER1 (0.35) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL20650419 | 0.83 | MCL1 (0.40) | MCL1CYP1A2CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3428152-B1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-11-03 | — | — | EP | disclosed |
| EP-3428152-A1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2019-01-16 | — | — | EP | disclosed |