Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5779829 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5778799 | 0.92 | MAPT (0.54) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5778803 | 0.92 | MAPT (0.54) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5782408 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5782404 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5783298 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MAPTGAATSHRATM | |
| SCHEMBL5783295 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MAPTGAATSHRATM | |
| Hydrochloric Acid SCHEMBL5780680 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPTGAATSHRATM | |
| Hydrochloric Acid SCHEMBL5780571 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPTGAATSHRATM | |
| Hydrochloric Acid SCHEMBL5780570 | 0.82 | 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 |