Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29832463 | 0.95 | NTSR1 (0.49) | NTSR1PTPN1CES2CES1GAA | |
| SCHEMBL29832444 | 0.94 | NTSR1 (0.48) | NTSR1PTPN1CES2CES1GAA | |
| SCHEMBL29832008 | 0.90 | PTPN1 (0.48) | NTSR1PTPN1CES2CES1ATM | |
| SCHEMBL29831769 | 0.87 | ALDH1A1 (0.42) | PTPN1CES2CES1GAAKMT2A | |
| SCHEMBL29832000 | 0.87 | HSP90AA1 (0.42) | NTSR1PTPN1CES2CES1GAA | |
| SCHEMBL29831903 | 0.84 | ALDH1A1 (0.48) | CES2CES1GAAKMT2AMEN1 | |
| SCHEMBL29832144 | 0.82 | NTSR1 (0.47) | NTSR1PTPN1CES2CES1KMT2A | |
| SCHEMBL29832039 | 0.82 | LMNA (0.46) | PTPN1CES2CES1GAAKMT2A | |
| SCHEMBL29832085 | 0.81 | CES2 (0.38) | PTPN1CES2CES1KMT2AATM | |
| SCHEMBL29832138 | 0.80 | CA2 (0.41) | CES2CES1GAAPOLBALDH1A1 |
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-115093367-A | Preparation method and application of fluoroalkyl ketone compound | 华南农业大学 | 2022-09-23 | — | — | CN | disclosed |