Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 20/20 | 0.86 |
| ▸ | ITGB7 | P26010 | 20/20 | 0.86 |
| ▸ | ITGB1 | P05556 | 19/20 | 0.86 |
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 | |
|---|---|---|---|---|
| SCHEMBL27495490 | 1.00 | ITGA4 (0.86) | ITGA4ITGB7ITGB1 | |
| SCHEMBL5160206 | 0.93 | ITGB1 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL5163338 | 0.89 | ITGB1 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27487109 | 0.86 | ITGB1 (0.86) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27487110 | 0.86 | ITGB1 (0.86) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27487113 | 0.86 | ITGB1 (0.88) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27487112 | 0.86 | ITGB1 (0.88) | ITGA4ITGB7ITGB1 | |
| SCHEMBL5162586 | 0.84 | ITGB1 (0.84) | ITGA4ITGB7ITGB1 | |
| SCHEMBL5159950 | 0.82 | ITGA4 (0.79) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27509333 | 0.82 | ITGA4 (0.66) | ITGA4ITGB7ITGB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1218943-C | 4-pyrimidinyl-N-acyl-L-phenylalanine compounds | HOFFMANN LA ROCHE (CH) | 2005-09-14 | — | — | CN | claimed |
| CN-1407972-A | 4-pyrimidinyl-N-acyl-L-phenylalanine compounds | HOFFMANN LA ROCHE (CH) | 2003-04-02 | — | — | CN | claimed |
| CN-1218943-C | 4-pyrimidinyl-N-acyl-L-phenylalanine compounds | HOFFMANN LA ROCHE (CH) | 2005-09-14 | — | — | CN | disclosed |
| CN-1407972-A | 4-pyrimidinyl-N-acyl-L-phenylalanine compounds | HOFFMANN LA ROCHE (CH) | 2003-04-02 | — | — | CN | disclosed |