Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | PIM1 | P11309 | 3/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL24527757 | 0.92 | IDO1 (0.42) | IDO1TDO2HSD17B1HSD17B2GSK3A | |
| SCHEMBL24527752 | 0.92 | IDO1 (0.44) | IDO1TDO2HSD17B1HSD17B2GSK3A | |
| SCHEMBL24528107 | 0.84 | DYRK1A (0.35) | IDO1TDO2HSD17B1HSD17B2GSK3A | |
| SCHEMBL24528109 | 0.82 | DYRK1A (0.34) | IDO1TDO2HSD17B1HSD17B2GSK3A | |
| SCHEMBL26433381 | 0.81 | GSK3A (0.39) | IDO1TDO2GSK3AGSK3BDYRK1A | |
| SCHEMBL26433490 | 0.80 | TSPO (0.33) | IDO1TDO2GSK3AGSK3BDYRK1A | |
| SCHEMBL26433383 | 0.79 | GSK3A (0.36) | IDO1TDO2GSK3AGSK3BDYRK1A | |
| SCHEMBL26433487 | 0.79 | IDO1 (0.33) | IDO1TDO2GSK3AGSK3BDYRK1A | |
| SCHEMBL26433504 | 0.78 | TSPO (0.32) | IDO1TDO2GSK3AGSK3B | |
| SCHEMBL15460106 | 0.77 | TSPO (0.40) | KMOHSD17B1HSD17B2 |
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-2022129113-A1 | NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |