Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | 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 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8371987 | 1.00 | CES1 (0.43) | CES1L3MBTL1TDP1CYP2A6MAOA | |
| SCHEMBL21822872 | 0.87 | CYP2A6 (0.45) | CES1L3MBTL1TDP1CYP2A6MAOA | |
| SCHEMBL7960264 | 0.78 | HTR6 (0.41) | CES1L3MBTL1TDP1CYP2A6MAOA | |
| SCHEMBL29987608 | 0.74 | CES1 (0.40) | CES1CYP2A6MAOAMAOBSIGMAR1 | |
| SCHEMBL459641 | 0.74 | CES1 (0.40) | CES1CYP2A6MAOAMAOBSIGMAR1 | |
| SCHEMBL5119030 | 0.74 | CYP3A4 (0.42) | CES1L3MBTL1TDP1HPGDTSHR | |
| SCHEMBL2874924 | 0.73 | CES1 (0.43) | CES1L3MBTL1CYP2A6MAOAMAOB | |
| SCHEMBL6244296 | 0.73 | CES1 (0.43) | CES1L3MBTL1CYP2A6MAOAMAOB | |
| SCHEMBL4436441 | 0.73 | CES1 (0.43) | CES1L3MBTL1CYP2A6MAOAMAOB | |
| SCHEMBL3630867 | 0.73 | NOS3 (0.45) | CES1L3MBTL1CYP2A6MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-121717675-A | Method for synthesizing compound with rotation-resistant 1, 3-diene structure through catalytic reduction coupling reaction of transition metal | 兰州大学 | 2026-03-24 | — | — | CN | disclosed |