Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5780933 | 1.00 | ALDH1A1 (0.50) | ALDH1A1ATMMAPTDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL5781969 | 0.99 | ALDH1A1 (0.49) | ALDH1A1ATMMAPTDRD2DRD4 | |
| SCHEMBL5779829 | 0.82 | ALDH1A1 (0.47) | ALDH1A1ATMMAPTDRD2DRD4 | |
| SCHEMBL5779828 | 0.82 | ALDH1A1 (0.47) | ALDH1A1ATMMAPTDRD2DRD4 | |
| SCHEMBL5782404 | 0.80 | ALDH1A1 (0.48) | ALDH1A1ATMMAPTDRD2DRD4 | |
| SCHEMBL5782408 | 0.80 | ALDH1A1 (0.48) | ALDH1A1ATMMAPTDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL5780570 | 0.78 | ALDH1A1 (0.47) | ALDH1A1ATMMAPTDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL5780571 | 0.78 | ALDH1A1 (0.47) | ALDH1A1ATMMAPTDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL5780680 | 0.78 | ALDH1A1 (0.47) | ALDH1A1ATMMAPTDRD2DRD4 | |
| SCHEMBL7570962 | 0.77 | ALDH1A1 (0.51) | ALDH1A1ATMMAPTDRD2DRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1114028-B1 | AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION | AVENTIS PHARMA LTD (GB) | 2006-11-29 | — | — | EP | disclosed |
| US-6608084-B1 | Treatment of human or non-human animal patient suffering from, or subject to, condition which can be ameliorated by administration of inhibitor of alpha 4 beta 1 mediated cell adhesion | AVENTIS PHARMA LTD. (GB) | 2003-08-19 | — | — | US | disclosed |
| EP-1114028-A1 | AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION | Aventis Pharma Limited (GB) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000015612-A1 | AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION | AVENTIS PHARMA LIMITED (GB) | 2000-03-23 | — | — | WO | disclosed |