Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 11/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 11/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2434347 | 1.00 | ITGB1 (0.44) | ITGB1ITGA4KDM1AKDM4EHTR3A | |
| SCHEMBL2430016 | 0.94 | ITGB1 (0.51) | ITGB1ITGA4KDM1AKDM4EHTR3A | |
| SCHEMBL2430292 | 0.92 | ITGB1 (0.44) | ITGB1ITGA4KDM1AKDM4EHTR3A | |
| SCHEMBL2430235 | 0.88 | ITGB1 (0.58) | ITGB1ITGA4KDM1AALDH1A1 | |
| SCHEMBL6764792 | 0.88 | ITGB1 (0.58) | ITGB1ITGA4KDM1AALDH1A1 | |
| SCHEMBL2429372 | 0.86 | ITGB1 (0.50) | ITGB1ITGA4KDM1AKDM4EHTR3A | |
| SCHEMBL2430290 | 0.85 | ITGB1 (0.43) | ITGB1ITGA4KDM1AKDM4EHTR3A | |
| SCHEMBL2434349 | 0.83 | ITGB1 (0.55) | ITGB1ITGA4KDM1AWDR5 | |
| SCHEMBL2432749 | 0.82 | ITGB1 (0.66) | ITGB1ITGA4KDM1A | |
| SCHEMBL5373224 | 0.82 | ITGB1 (0.49) | ITGB1ITGA4KDM1AKDM4EWDR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1346982-A1 | VLA-4 INHIBITORS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-09-24 | — | — | EP | disclosed |