Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25036095 | 0.95 | ABCG2 (0.38) | CYP11B1CYP11B2CYP17A1ADORA2AADORA1 | |
| SCHEMBL25038598 | 0.94 | CYP11B1 (0.37) | KDM1ACYP11B1CYP11B2CYP17A1ADORA2A | |
| SCHEMBL25038590 | 0.92 | ABCG2 (0.37) | ADORA2AADORA1ABCG2ABCB1ABCC1 | |
| SCHEMBL25038863 | 0.91 | KDM1A (0.38) | KDM1ACYP11B1CYP11B2CYP17A1ADORA2A | |
| SCHEMBL25038577 | 0.90 | CYP11B1 (0.39) | KDM1ACYP11B1CYP11B2CYP17A1ADORA2A | |
| SCHEMBL25038566 | 0.89 | CYP11B1 (0.38) | KDM1ACYP11B1CYP11B2CYP17A1ADORA2A | |
| SCHEMBL25038617 | 0.89 | CYP11B1 (0.39) | KDM1ACYP11B1CYP11B2CYP17A1ADORA2A | |
| SCHEMBL25037986 | 0.88 | CYP1A2 (0.40) | ADORA2AADORA1ABCG2ABCB1ABCC1 | |
| SCHEMBL25038558 | 0.86 | MEN1 (0.38) | ADORA2AADORA1ABCG2ABCB1ABCC1 | |
| SCHEMBL25038853 | 0.86 | MEN1 (0.38) | ADORA2AADORA1ABCG2ABCB1ABCC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |