Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.58 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.49 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 2/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP7 | P09237 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7511221 | 0.97 | ITGA4 (0.63) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7327511 | 0.96 | ITGA4 (0.58) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7508252 | 0.95 | ITGA4 (0.56) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7315890 | 0.93 | ITGA4 (0.65) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7317528 | 0.93 | ITGA4 (0.65) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7314294 | 0.92 | ITGA4 (0.66) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7318497 | 0.91 | ITGA4 (0.59) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7510457 | 0.91 | ITGA4 (0.63) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7316614 | 0.89 | ITGA4 (0.54) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 | |
| SCHEMBL7318157 | 0.89 | ITGA4 (0.65) | ITGA4FKBP1AKCNQ1ITGB1ITGA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1001972-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |
| 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 |