Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL21020287 | 0.86 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL20649758 | 0.86 | KDM4E (0.35) | KDM4EALDH1A1GAAMAPT | |
| SCHEMBL20650765 | 0.85 | KDM4E (0.33) | KDM4EALDH1A1GAAMAPT | |
| SCHEMBL20650764 | 0.83 | KDM4E (0.33) | KDM4EALDH1A1GAAMAPT | |
| SCHEMBL23967895 | 0.83 | ALDH1A1 (0.36) | HPGDKDM4EALDH1A1GAAMAPT | |
| SCHEMBL20649762 | 0.83 | KDM4E (0.33) | KDM4EALDH1A1GAAMAPT | |
| SCHEMBL20649838 | 0.81 | TSHR (0.35) | KDM4EALDH1A1GAAMAPTSLC6A2 | |
| SCHEMBL20650730 | 0.81 | NPC1 (0.32) | — | |
| SCHEMBL20650761 | 0.81 | ELANE (0.33) | CYP3A4KDM4EALDH1A1GAAMAPT | |
| SCHEMBL20650762 | 0.80 | KEAP1 (0.31) | — |
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-B1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-11-03 | — | — | EP | disclosed |