Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 4/20 | 0.59 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.45 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.43 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7314322 | 0.94 | ITGA4 (0.65) | ITGA4MMP1MMP9MMP13ITGB1 | |
| SCHEMBL7318497 | 0.88 | ITGA4 (0.59) | ITGA4MMP1ITGB1HCRTR1HCRTR2 | |
| SCHEMBL7327511 | 0.88 | ITGA4 (0.58) | ITGA4MMP1MMP13ITGB1HCRTR1 | |
| SCHEMBL7508252 | 0.85 | ITGA4 (0.56) | ITGA4MMP1MMP13ITGB1FKBP1A | |
| SCHEMBL7317569 | 0.84 | ITGA4 (0.58) | ITGA4MMP1MMP13ITGB1HCRTR1 | |
| SCHEMBL9068818 | 0.83 | ITGA4 (0.56) | ITGA4ITGB1ITGB7HCRTR1HCRTR2 | |
| SCHEMBL7322188 | 0.82 | ITGA4 (0.66) | ITGA4MMP1ITGB1ITGB7FKBP1A | |
| SCHEMBL7511221 | 0.81 | ITGA4 (0.63) | ITGA4MMP1MMP13ITGB1ITGB7 | |
| SCHEMBL6712426 | 0.81 | ITGA4 (0.59) | ITGA4ITGB1ITGB7HCRTR1HCRTR2 | |
| SCHEMBL7318157 | 0.81 | ITGA4 (0.65) | ITGA4MMP1ITGB1ITGB7FKBP1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492421-B1 | BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA | ATHENA NEUROSCIENCES, INC. | 2002-12-10 | — | — | US | disclosed |
| EP-1001972-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |