Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 9/20 | 0.61 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.61 |
| ▸ | ITGB7 | P26010 | 9/20 | 0.61 |
| ▸ | GRB2 | P62993 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 5/20 | 0.40 |
| ▸ | TPH1 | P17752 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27511517 | 1.00 | ITGB1 (0.61) | ITGB1ITGA4ITGB7GRB2PTPN1 | |
| SCHEMBL5164910 | 0.88 | ITGA4 (0.55) | ITGB1ITGA4ITGB7 | |
| Hydrochloric Acid SCHEMBL5164904 | 0.87 | ITGA4 (0.55) | ITGB1ITGA4ITGB7 | |
| SCHEMBL18009483 | 0.83 | ITGB1 (0.58) | ITGB1ITGA4ITGB7GRB2SLC7A5 | |
| SCHEMBL18009482 | 0.83 | ITGB1 (0.58) | ITGB1ITGA4ITGB7GRB2SLC7A5 | |
| SCHEMBL22982364 | 0.80 | ITGB1 (0.63) | ITGB1ITGA4ITGB7GRB2PTPN1 | |
| SCHEMBL14564318 | 0.80 | ITGA4 (0.56) | ITGB1ITGA4ITGB7 | |
| SCHEMBL27504630 | 0.80 | ITGB1 (0.62) | ITGB1ITGA4ITGB7GRB2PTPN1 | |
| SCHEMBL6297453 | 0.80 | ITGB1 (0.63) | ITGB1ITGA4ITGB7GRB2PTPN1 | |
| SCHEMBL27504631 | 0.80 | ITGB1 (0.62) | ITGB1ITGA4ITGB7GRB2PTPN1 |
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 5 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 | disclosed |
| EP-1244625-B1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | HOFFMANN LA ROCHE (CH) | 2005-06-15 | — | — | EP | disclosed |
| CN-1407972-A | 4-pyrimidinyl-N-acyl-L-phenylalanine compounds | HOFFMANN LA ROCHE (CH) | 2003-04-02 | — | — | CN | disclosed |
| EP-1244625-A1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001042215-A1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-14 | — | — | WO | disclosed |