Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.67 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.67 |
| ▸ | CTSS | P25774 | 3/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MDM4 | O15151 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8336978 | 1.00 | ITGA4 (0.67) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL5887224 | 0.90 | ITGA4 (0.64) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL5887295 | 0.90 | ITGA4 (0.64) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL5887221 | 0.90 | ITGA4 (0.64) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL2857976 | 0.90 | ITGA4 (0.64) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL5887302 | 0.90 | ITGA4 (0.64) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL2857974 | 0.90 | ITGA4 (0.64) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL16355706 | 0.89 | ITGA4 (0.63) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL7260951 | 0.86 | ATM (0.62) | ITGA4ITGB7POLBKMT2AMDM4 | |
| SCHEMBL1822652 | 0.85 | ITGA4 (0.58) | ITGA4ITGB7MAPTTDP1POLB |
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-109704996-A | A method of preparing the halogenated-N-protected-l-tyrosine methyl esters of 3- | 安阳工学院 | 2019-05-03 | — | — | CN | disclosed |