Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | HNF4A | P41235 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL26218697 | 0.81 | HTT (0.42) | CYP2A6NR1H2ENPP1ALDH1A1HPGD | |
| SCHEMBL25226657 | 0.79 | ALDH1A1 (0.42) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL11757336 | 0.79 | CYP2A6 (0.54) | CYP2A6NR1H2ENPP1ALDH1A1HSD17B10 | |
| SCHEMBL27816522 | 0.75 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL31265362 | 0.75 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL6472472 | 0.75 | HTT (0.40) | CYP2A6NR1H2ENPP1ALDH1A1HPGD | |
| SCHEMBL7469996 | 0.74 | ALDH1A1 (0.38) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL12415330 | 0.74 | CYP2A6 (0.48) | CYP2A6NR1H2ENPP1ALDH1A1HSD17B10 | |
| SCHEMBL21600237 | 0.73 | CYP2A6 (0.46) | CYP2A6CYP1A2PTGS2BACE1 | |
| SCHEMBL29088481 | 0.73 | HTT (0.39) | CYP2A6NR1H2ENPP1ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023161168-A1 | AROMATIC HETREOCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-08-31 | — | — | WO | disclosed |
| WO-2023161167-A1 | NITROGENOUS HETEROCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-08-31 | — | — | WO | disclosed |