Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 10/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 3/20 | 0.38 |
| ▸ | ITGB8 | P26012 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5780695 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTGAATSHRTBXAS1 | |
| Hydrochloric Acid SCHEMBL5782005 | 0.99 | ALDH1A1 (0.44) | ALDH1A1MAPTGAATSHRTBXAS1 | |
| Hydrochloric Acid SCHEMBL5780744 | 0.99 | ALDH1A1 (0.44) | ALDH1A1MAPTGAATSHRTBXAS1 | |
| Hydrochloric Acid SCHEMBL5782007 | 0.99 | ALDH1A1 (0.44) | ALDH1A1MAPTGAATSHRTBXAS1 | |
| SCHEMBL5782404 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5782408 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGAATSHRATM | |
| Hydrochloric Acid SCHEMBL5780680 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MAPTGAATSHRATM | |
| Hydrochloric Acid SCHEMBL5780571 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MAPTGAATSHRATM | |
| Hydrochloric Acid SCHEMBL5780570 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5779828 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTGAATSHRATM |
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 |