Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23020178 | 0.91 | ABCG2 (0.43) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL23020075 | 0.89 | ABCG2 (0.41) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL23020162 | 0.85 | MEN1 (0.44) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL22652772 | 0.85 | ADORA2A (0.55) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL23020374 | 0.84 | ABCG2 (0.39) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL24407003 | 0.84 | CYP1A2 (0.43) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL23606550 | 0.84 | MEN1 (0.58) | MEN1KMT2AADORA2AATM | |
| SCHEMBL16436461 | 0.84 | MEN1 (0.54) | CYP3A4MEN1KMT2ALMNATSHR | |
| SCHEMBL23020058 | 0.82 | PDE4A (0.42) | CLK4ABCG2PDE4APDE4CPDE4D | |
| SCHEMBL23020111 | 0.82 | MEN1 (0.48) | CYP1A2CYP3A4MEN1KMT2AALDH1A1 |
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 |