Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.42 |
| ▸ | CTSA | P10619 | 9/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATP4A | P20648 | 1/20 | 0.39 |
| ▸ | ATP4B | P51164 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510654 | 0.94 | ITGB1 (0.48) | LMNAITGB1ITGA4CTSAALDH1A1 | |
| SCHEMBL6514009 | 0.79 | ITGB1 (0.58) | ITGB1ITGA4ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL6518236 | 0.77 | ITGB1 (0.52) | LMNAITGB1ITGA4CTSASMN1; SMN2 | |
| SCHEMBL6512426 | 0.76 | ITGB1 (0.53) | ITGB1ITGA4ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL6509549 | 0.74 | ITGB1 (0.63) | ITGB1ITGA4CTSA | |
| SCHEMBL6514203 | 0.72 | ITGB1 (0.49) | LMNAITGB1ITGA4ALDH1A1SMN1; SMN2 | |
| SCHEMBL6518082 | 0.71 | ITGB1 (0.57) | ITGB1ITGA4 | |
| SCHEMBL6513196 | 0.70 | ITGB1 (0.53) | ITGB1ITGA4KMT2A | |
| SCHEMBL6512467 | 0.70 | ALDH1A1 (0.60) | LMNAALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL6513291 | 0.70 | ITGB1 (0.48) | ITGB1ITGA4SMN1; SMN2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | claimed |
| EP-1135371-A1 | BETA-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-09-26 | — | — | EP | claimed |
| WO-2000032575-A1 | β-ALANINE DERIVATIVES AS α4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-08 | — | — | WO | claimed |
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |