Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL6513196 | 0.84 | ITGB1 (0.53) | ITGB1ITGA4 | |
| SCHEMBL6509549 | 0.83 | ITGB1 (0.63) | ITGB1ITGA4 | |
| SCHEMBL6513291 | 0.83 | ITGB1 (0.48) | ITGB1ITGA4ITGB3ITGA2BRAB9A | |
| SCHEMBL6512395 | 0.80 | ITGB1 (0.49) | ITGB1ITGA4 | |
| SCHEMBL6512308 | 0.78 | EGFR (0.47) | ITGB1ITGA4RAB9A | |
| SCHEMBL6512302 | 0.78 | EGFR (0.47) | ITGB1ITGA4RAB9A | |
| SCHEMBL6515884 | 0.77 | ITGB3 (0.46) | ITGB1ITGA4ITGB3ITGA2BHDAC2 | |
| SCHEMBL6520177 | 0.77 | ITGB1 (0.52) | ITGB1ITGA4HDAC1 | |
| SCHEMBL6512380 | 0.77 | ITGA4 (0.50) | ITGB1ITGA4ITGB3ITGA2B | |
| SCHEMBL6509525 | 0.76 | ITGB1 (0.52) | ITGB1ITGA4RAB9APOLB |
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 1 patent. 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 | disclosed |