Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.34 |
| ▸ | FEN1 | P39748 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL24528109 | 0.90 | DYRK1A (0.34) | DYRK1AALOX5APFEN1IDO1TDO2 | |
| SCHEMBL24527752 | 0.88 | IDO1 (0.44) | DYRK1AIDO1TDO2GSK3AGSK3B | |
| SCHEMBL24527757 | 0.85 | IDO1 (0.42) | DYRK1AIDO1TDO2GSK3AGSK3B | |
| SCHEMBL24528093 | 0.84 | KMO (0.40) | DYRK1AIDO1TDO2GSK3AGSK3B | |
| SCHEMBL24527880 | 0.81 | KDM4E (0.44) | KDM4EMAPK8 | |
| SCHEMBL24528104 | 0.79 | TRPA1 (0.34) | METAP2 | |
| SCHEMBL24527876 | 0.78 | GRM4 (0.34) | KDM4ENPC1SMN1; SMN2 | |
| SCHEMBL24527881 | 0.77 | ALOX5 (0.42) | LIMK1CDK5 | |
| SCHEMBL24527877 | 0.77 | — | — | |
| SCHEMBL24527879 | 0.77 | ALOX5 (0.43) | KDM4ENPC1SMN1; SMN2 |
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 |