Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.50 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.50 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | YAP1 | P46937 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5690682 | 0.94 | HCRTR1 (0.51) | ALDH1A1HCRTR1HCRTR2ITGA4MAPK1 | |
| SCHEMBL5690885 | 0.91 | ITGB1 (0.58) | ALDH1A1ITGB1ITGA5ITGA4MAPK1 | |
| SCHEMBL5692071 | 0.91 | HCRTR1 (0.53) | ALDH1A1ITGB1HCRTR1HCRTR2ITGA5 | |
| SCHEMBL5690244 | 0.88 | ALDH1A1 (0.56) | ALDH1A1ITGB1HCRTR1HCRTR2ITGA5 | |
| SCHEMBL5690719 | 0.86 | ITGB1 (0.57) | ALDH1A1ITGB1ITGA5ITGA4MAPK1 | |
| SCHEMBL5690486 | 0.84 | HCRTR1 (0.54) | ALDH1A1HCRTR1HCRTR2MAPK1POLB | |
| SCHEMBL5690873 | 0.84 | ITGB1 (0.60) | ALDH1A1ITGB1ITGA5ITGA4ITGA2 | |
| SCHEMBL5691183 | 0.84 | ITGB1 (0.60) | ALDH1A1ITGB1ITGA5ITGA4ITGA2 | |
| SCHEMBL5691000 | 0.82 | ITGB1 (0.59) | ALDH1A1ITGB1ITGA5ITGA4MAPK1 | |
| SCHEMBL5690998 | 0.82 | ITGB1 (0.59) | ALDH1A1ITGB1ITGA5ITGA4MAPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001974-B1 | 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARM INC (US) | 2006-05-24 | — | — | EP | claimed |
| US-6291453-B1 | 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 | ATHENA NEUROSCIENCES, INC. | 2001-09-18 | — | — | US | claimed |
| EP-1001974-A1 | 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006434-A1 | 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | claimed |
| EP-1001974-B1 | 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARM INC (US) | 2006-05-24 | — | — | EP | disclosed |
| US-6291453-B1 | 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 | ATHENA NEUROSCIENCES, INC. | 2001-09-18 | — | — | US | disclosed |
| EP-1001974-A1 | 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006434-A1 | 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |