Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.36 |
| ▸ | PYGL | P06737 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 4/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL687907 | 0.95 | SMN1; SMN2 (0.38) | SMN1; SMN2ITGB1ITGA4PYGLKDM4E | |
| SCHEMBL688330 | 0.94 | SMN1; SMN2 (0.40) | SMN1; SMN2KDM4EALDH1A1POLBCTSA | |
| SCHEMBL686989 | 0.92 | SMN1; SMN2 (0.38) | SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1 | |
| SCHEMBL687715 | 0.90 | CTSA (0.39) | SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1 | |
| SCHEMBL687119 | 0.90 | SMN1; SMN2 (0.36) | SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1 | |
| SCHEMBL687950 | 0.90 | SMN1; SMN2 (0.36) | SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1 | |
| SCHEMBL687366 | 0.90 | CTSA (0.37) | SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1 | |
| SCHEMBL688507 | 0.89 | SMN1; SMN2 (0.38) | SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1 | |
| SCHEMBL687631 | 0.89 | SMN1; SMN2 (0.49) | SMN1; SMN2KDM4EALDH1A1POLBCTSA | |
| SCHEMBL688105 | 0.88 | ITGB3 (0.39) | SMN1; SMN2KDM4EALDH1A1CTSAKMT2A |
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-1203766-B1 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | ENCYSIVE PHARMACEUTICALS INC (US) | 2012-02-29 | — | — | EP | disclosed |
| EP-1203766-A2 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | TEXAS BIOTECHNOLOGY CORPORATION (US) | 2002-05-08 | — | — | EP | disclosed |