Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 2/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 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 | |
|---|---|---|---|---|
| SCHEMBL24527757 | 0.97 | IDO1 (0.42) | IDO1TDO2GSK3AGSK3BNPC1 | |
| SCHEMBL24528093 | 0.92 | KMO (0.40) | IDO1TDO2GSK3AGSK3BFYN | |
| SCHEMBL24528107 | 0.88 | DYRK1A (0.35) | IDO1TDO2GSK3AGSK3BNPC1 | |
| SCHEMBL24528109 | 0.86 | DYRK1A (0.34) | IDO1TDO2GSK3AGSK3BNPC1 | |
| SCHEMBL26433381 | 0.84 | GSK3A (0.39) | IDO1TDO2GSK3AGSK3BNPC1 | |
| SCHEMBL26433487 | 0.83 | IDO1 (0.33) | IDO1TDO2GSK3AGSK3BDYRK1A | |
| SCHEMBL26433490 | 0.82 | TSPO (0.33) | IDO1TDO2GSK3AGSK3BDYRK1A | |
| SCHEMBL26433383 | 0.80 | GSK3A (0.36) | IDO1TDO2GSK3AGSK3BNPC1 | |
| SCHEMBL26433500 | 0.80 | IDO1 (0.31) | IDO1TDO2GSK3AGSK3B | |
| SCHEMBL26433474 | 0.80 | GSK3A (0.34) | IDO1TDO2GSK3AGSK3BNPC1 |
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 |