Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24523791 | 0.89 | ABCG2 (0.44) | ABCG2ABCB1HSD17B10MEN1KMT2A | |
| SCHEMBL24524214 | 0.88 | CYP1A2 (0.35) | ABCG2ABCB1HSD17B10ADORA2AMEN1 | |
| SCHEMBL24523779 | 0.84 | ABCG2 (0.45) | ABCG2ABCB1HSD17B10MEN1KMT2A | |
| SCHEMBL24523727 | 0.82 | CYP1A2 (0.40) | ABCG2ABCB1HSD17B10ADORA2AADORA1 | |
| SCHEMBL24523719 | 0.82 | MEN1 (0.39) | MEN1KMT2A | |
| SCHEMBL24523804 | 0.81 | GABRA1 (0.39) | MEN1KMT2A | |
| SCHEMBL24523724 | 0.81 | GABRA1 (0.39) | MEN1KMT2A | |
| SCHEMBL24523722 | 0.81 | MEN1 (0.38) | MEN1KMT2A | |
| SCHEMBL24523734 | 0.80 | MEN1 (0.40) | ADORA2AMEN1KMT2A | |
| SCHEMBL24523765 | 0.78 | PTGDR2 (0.40) | MEN1KMT2A |
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-2022129116-A1 | INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |