Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 17/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 16/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6568926 | 1.00 | ITGB1 (0.44) | ITGB1ITGA4MMEACECPA1 | |
| SCHEMBL7229806 | 1.00 | ITGB1 (0.44) | ITGB1ITGA4MMEACECPA1 | |
| SCHEMBL6568226 | 0.90 | ITGB1 (0.44) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL6568912 | 0.88 | ITGB1 (0.51) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL6568334 | 0.86 | ITGB1 (0.49) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL6569673 | 0.83 | ITGB1 (0.52) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL3851029 | 0.77 | ITGB1 (0.59) | ITGB1ITGA4ITGAVITGA5ITGB7 | |
| SCHEMBL3851032 | 0.77 | ITGB1 (0.59) | ITGB1ITGA4ITGAVITGA5ITGB7 | |
| SCHEMBL5859856 | 0.73 | ITGA4 (0.46) | ITGB1ITGA4ITGB7 | |
| SCHEMBL5679763 | 0.71 | ITGB1 (0.55) | ITGB1ITGA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6545160-B2 | Alpha-aminoacetic acid derivatives bind alpha 4 beta 7 integrin, useful for treatment of inflammatory diseases in mammalian patient, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, rheumatoid arthritis | ELAN PHARMACEUTICALS, INC. | 2003-04-08 | — | — | US | disclosed |
| US-6410781-B1 | ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; ALZHEIMER'S DISEASE; | ELAN PHARMACEUTICALS, INC. | 2002-06-25 | — | — | US | disclosed |