Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 10/20 | 0.58 |
| ▸ | ITGA4 | P13612 | 10/20 | 0.58 |
| ▸ | CAPN1 | P07384 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5681725 | 0.92 | ITGB1 (0.53) | ITGB1ITGA4CAPN1KMT2AKDM4E | |
| SCHEMBL5679669 | 0.82 | ITGB1 (0.63) | ITGB1ITGA4CAPN1ALDH1A1 | |
| SCHEMBL5163741 | 0.82 | CAPN1 (0.44) | ITGB1ITGA4CAPN1KMT2A | |
| SCHEMBL5693902 | 0.81 | ITGB1 (0.55) | ITGB1ITGA4CAPN1KMT2AKDM4E | |
| SCHEMBL5679763 | 0.81 | ITGB1 (0.55) | ITGB1ITGA4CAPN1KMT2AALDH1A1 | |
| SCHEMBL5166690 | 0.79 | ITGB1 (0.47) | ITGB1ITGA4CAPN1ITGB3ITGA2B | |
| SCHEMBL5693874 | 0.78 | ITGB1 (0.52) | ITGB1ITGA4CAPN1KMT2A | |
| SCHEMBL5164182 | 0.76 | ITGB1 (0.74) | ITGB1ITGA4CAPN1 | |
| SCHEMBL5165158 | 0.76 | ITGB1 (0.74) | ITGB1ITGA4CAPN1 | |
| SCHEMBL5165080 | 0.76 | CAPN1 (0.56) | ITGB1ITGA4CAPN1KMT2AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7101855-B2 | Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-09-05 | — | — | US | claimed |