Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL3757571 | 0.73 | CYP2A6 (0.57) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL4276353 | 0.71 | CYP2A6 (0.53) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL18508 | 0.71 | — | — | |
| SCHEMBL183976 | 0.69 | ACHE (0.50) | CYP2A6CES2CES1ALDH1A1CA2 | |
| SCHEMBL11916255 | 0.69 | CYP2A6 (0.50) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL9717534 | 0.69 | CYP2A6 (0.50) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL1304998 | 0.69 | LMNA (0.50) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL2884210 | 0.69 | CYP2A6 (0.50) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL11770595 | 0.69 | CYP2A6 (0.50) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL65149 | 0.69 | MEN1 (0.50) | ALDH1A1MAPK1ALOX15CA2CA1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114031639-B | Preparation method of biphospide with P-O-C-P structure | 烟台大学 | 2024-07-12 | — | — | CN | claimed |
| CN-119613454-A | Preparation method of difluoromethyl-containing compound | 昆明理工大学 | 2025-03-14 | — | — | CN | disclosed |
| CN-116041392-B | Compound containing phosphate group, preparation method and application thereof | 中国科学院长春应用化学研究所 | 2024-11-12 | — | — | CN | disclosed |
| CN-114031639-B | Preparation method of biphospide with P-O-C-P structure | 烟台大学 | 2024-07-12 | — | — | CN | disclosed |
| CN-114805430-B | Preparation method of selenophosphide and thiophosphoride | 烟台大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-116715698-A | Preparation method of 6-phosphoryl 1,2, 4-triazine-3, 5 (2H, 4H) -diketone derivative | 河北工业大学 | 2023-09-08 | — | — | CN | disclosed |
| CN-113583042-B | Preparation method of phosphoryl fluoride compound | 烟台大学 | 2023-08-29 | — | — | CN | disclosed |
| CN-116462709-A | Phosphate group-containing compound, preparation method thereof and application thereof in perovskite light-emitting device | 中国科学院长春应用化学研究所 | 2023-07-21 | — | — | CN | disclosed |
| CN-116041392-A | Compound containing phosphate group, preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-05-02 | — | — | CN | disclosed |
| CN-114805430-A | Preparation method of seleno-phosphide and thiophosphite | 烟台大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-114031639-A | Preparation method of biphosphonate with P-O-C-P structure | 烟台大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-113583042-A | Preparation method of phosphoryl fluoride compound | 烟台大学 | 2021-11-02 | — | — | CN | disclosed |