Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.82 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30530196 | 0.82 | SLC6A9 (0.61) | ALDH1A1GAALMNASLC6A9HSD17B2 | |
| SCHEMBL1386996 | 0.82 | LMNA (0.79) | ALDH1A1GAALMNATSHRBCAT2 | |
| SCHEMBL2182609 | 0.80 | GAA (0.67) | ALDH1A1GAALMNATSHRBCAT2 | |
| SCHEMBL22408310 | 0.79 | LMNA (1.00) | ALDH1A1GAALMNASLC6A9HSD17B2 | |
| SCHEMBL8685712 | 0.78 | ALDH1A1 (0.61) | ALDH1A1GAALMNASLC6A9NR3C2 | |
| Formaldehyde SCHEMBL27761965 | 0.78 | LMNA (0.73) | ALDH1A1GAALMNATSHRBCAT2 | |
| Ethylene SCHEMBL21647328 | 0.78 | LMNA (0.73) | ALDH1A1GAALMNATSHRBCAT2 | |
| SCHEMBL10958135 | 0.78 | ALDH1A1 (0.53) | ALDH1A1GAALMNASLC6A9HSD17B2 | |
| Hydrochloric Acid SCHEMBL28055613 | 0.78 | LMNA (0.97) | ALDH1A1GAALMNASLC6A9HSD17B2 | |
| SCHEMBL7996778 | 0.78 | ALDH1A1 (0.52) | ALDH1A1GAALMNASLC6A9HSD17B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0914605-B1 | MOLECULAR MODEL FOR VLA-4 INHIBITORS | BIOGEN IDEC INC (US) | 2007-05-30 | — | — | EP | claimed |
| US-6552216-B1 | Cell adhesion inhibitors; suppressing or preventing integrin very late antigen-4 binding to its ligands | BIOGEN, INC. | 2003-04-22 | — | — | US | claimed |