Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL25775739 | 0.86 | ABCG2 (0.34) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL21658386 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL25023752 | 0.85 | CYP1A2 (0.38) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL27446981 | 0.84 | CYP11B1 (0.40) | MEN1ALDH1A1KMT2ALMNAKDM4E | |
| SCHEMBL23020265 | 0.83 | — | — | |
| SCHEMBL22544968 | 0.79 | ABCG2 (0.42) | ABCG2ABCB1 | |
| SCHEMBL26391785 | 0.78 | MAPT (0.33) | MEN1ALDH1A1KMT2ALMNATSHR | |
| SCHEMBL23863431 | 0.77 | GRM5 (0.37) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL19939360 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL23020111 | 0.77 | MEN1 (0.48) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A |
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-3392242-B1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG CHEMICAL LTD (KR) | 2021-02-24 | — | — | EP | disclosed |