Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 12/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21364584 | 0.97 | ABCG2 (0.39) | ABCG2ABCB1ABCC1CYP1A2MEN1 | |
| SCHEMBL21364858 | 0.96 | ABCG2 (0.38) | ABCG2ABCB1ABCC1CYP1A2MEN1 | |
| SCHEMBL21364282 | 0.95 | CYP1A2 (0.40) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL21364587 | 0.94 | ABCG2 (0.37) | ABCG2ABCB1ABCC1CYP1A2MEN1 | |
| SCHEMBL21364732 | 0.94 | ABCG2 (0.37) | ABCG2ABCB1ABCC1CYP1A2MEN1 | |
| SCHEMBL21364590 | 0.93 | CYP1A2 (0.37) | ABCG2ABCB1ABCC1CYP1A2MEN1 | |
| SCHEMBL21364942 | 0.93 | CYP1A2 (0.40) | ABCG2ABCB1ABCC1CYP1A2MEN1 | |
| SCHEMBL21364296 | 0.93 | CYP1A2 (0.43) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL21364283 | 0.92 | CYP1A2 (0.41) | ABCG2CYP1A2MEN1ALDH1A1CYP3A4 | |
| SCHEMBL21364864 | 0.92 | ABCG2 (0.37) | ABCG2ABCB1ABCC1CYP1A2MEN1 |
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-3700997-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2021-12-08 | — | — | EP | disclosed |