Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 6/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 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 | |
|---|---|---|---|---|
| SCHEMBL17750811 | 0.89 | PTPN1 (0.38) | PTPN1HSP90AA1HSP90AB1KDM4EL3MBTL1 | |
| SCHEMBL9802567 | 0.85 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1CHKAPOLQFAAH | |
| SCHEMBL249636 | 0.80 | PTPN1 (0.47) | PTPN1TDP1KDM4ETP53 | |
| SCHEMBL28211185 | 0.80 | CYP3A4 (0.41) | CHKATP53 | |
| SCHEMBL17750814 | 0.80 | TYR (0.39) | KDM4EL3MBTL1CHKA | |
| SCHEMBL11666265 | 0.79 | LIPG (0.46) | — | |
| SCHEMBL11700167 | 0.79 | MEN1 (0.40) | PTPN1HSP90AA1HSP90AB1CHKATP53 | |
| SCHEMBL18569445 | 0.77 | PTPN1 (0.45) | PTPN1TDP1KDM4ETP53 | |
| SCHEMBL28339089 | 0.75 | TDP1 (0.45) | PTPN1TDP1KDM4EMGLL | |
| SCHEMBL6752667 | 0.75 | CYP2C19 (0.42) | PTPN1KDM4EL3MBTL1POLQ |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109706194-B | Method for synthesizing phenethyl alcohol beta-amino alcohol derivatives on line based on mobile chemical enzymatic ammonolysis reaction | 浙江工业大学 | 2021-04-06 | — | — | CN | disclosed |
| CN-109706194-A | A method of phenylethanol beta-alkamine derivative is synthesized online based on chemical enzymatic aminolysis reaction is flowed | 浙江工业大学 | 2019-05-03 | — | — | CN | disclosed |