Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28987638 | 1.00 | GAA (0.40) | GAAMEN1KMT2ANR1I2AHR | |
| SCHEMBL17822333 | 0.83 | ALDH1A1 (0.39) | GAAMEN1KMT2AKDM4EMAPT | |
| SCHEMBL30337202 | 0.83 | ALDH1A1 (0.39) | GAAMEN1KMT2AKDM4EMAPT | |
| SCHEMBL30337352 | 0.76 | DYRK1A (0.42) | CCR1CCR5CCR8ROCK1 | |
| SCHEMBL28987589 | 0.76 | DYRK1A (0.42) | CCR1CCR5CCR8ROCK1 | |
| SCHEMBL18607067 | 0.75 | PDE1B (0.33) | GAAROCK1 | |
| SCHEMBL20740506 | 0.71 | KMO (0.36) | POLBKDM4EMAPTGRM5 | |
| SCHEMBL19254846 | 0.70 | DYRK1A (0.45) | PTGDR2CCR1CCR5CCR8 | |
| SCHEMBL30337212 | 0.70 | DYRK1A (0.45) | PTGDR2CCR1CCR5CCR8 | |
| SCHEMBL445044 | 0.68 | KMO (0.47) | MEN1KMT2AKDM4ECCR1CCR5 |
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-115974845-B | Preparation method of Ornitinib intermediate | 奥锐特药业股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-115974845-A | Preparation method of oxitinib intermediate | 奥锐特药业股份有限公司 | 2023-04-18 | — | — | CN | disclosed |