Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2874924 | 1.00 | CES1 (0.43) | CES1CYP2A6MAOAMAOBSETD7 | |
| SCHEMBL7385726 | 0.87 | CYP2A6 (0.45) | CES1CYP2A6MAOAMAOBSETD7 | |
| SCHEMBL308273 | 0.76 | HTR6 (0.40) | CES1MAOAMAOBSETD7HPGD | |
| SCHEMBL3684627 | 0.74 | HTR6 (0.39) | CES1MAOAMAOBSETD7HPGD | |
| Lithium SCHEMBL3684629 | 0.74 | HTR6 (0.39) | CES1MAOAMAOBSETD7HPGD | |
| SCHEMBL8371987 | 0.73 | CES1 (0.43) | CES1CYP2A6MAOAMAOBSETD7 | |
| SCHEMBL32689461 | 0.73 | CES1 (0.43) | CES1CYP2A6MAOAMAOBSETD7 | |
| SCHEMBL4436441 | 0.73 | CES1 (0.43) | CES1CYP2A6MAOAMAOBNOS3 | |
| SCHEMBL31375435 | 0.73 | CES1 (0.43) | CES1CYP2A6MAOAMAOBSETD7 | |
| SCHEMBL6244296 | 0.73 | CES1 (0.43) | CES1CYP2A6MAOAMAOBSETD7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118302504-A | Preparation of renewable jet fuel from catalytic pyrolysis feedstock | IFP 新能源公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-118265764-A | Preparation of renewable diesel from catalytic pyrolysis feedstock | IFP 新能源公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-114019044-B | Method for analyzing structural characteristics of carbon skeleton of water-soluble organic molecules | 中国石油大学(北京) | 2023-07-04 | — | — | CN | disclosed |
| WO-2022155419-A1 | INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS | ESCAPE Bio, Inc. (US) | 2022-07-21 | — | — | WO | disclosed |
| CN-114019044-A | Method for analyzing structural characteristics of water-soluble organic molecular carbon skeleton | 中国石油大学(北京) | 2022-02-08 | — | — | CN | disclosed |