Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28666853 | 0.82 | ACHE (0.43) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL9927352 | 0.79 | CES2 (0.39) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL779999 | 0.79 | CES2 (0.39) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL28431617 | 0.77 | CES2 (0.38) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL781909 | 0.74 | ACHE (0.41) | CES2CES1CA12MMP2CA1 | |
| Hydrogen Peroxide SCHEMBL8672187 | 0.74 | BCL2L1 (0.46) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL2540983 | 0.74 | HPGD (0.59) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL1567573 | 0.74 | CA2 (0.55) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL7775596 | 0.74 | LMNA (0.56) | CES2CES1CA12MMP2CA1 | |
| SCHEMBL11991140 | 0.74 | BCL2L1 (0.46) | CES2CES1CA12MMP2CA1 |
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-113583042-B | Preparation method of phosphoryl fluoride compound | 烟台大学 | 2023-08-29 | — | — | CN | disclosed |