Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.47 |
| ▸ | MMP1 | P03956 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 3/20 | 0.45 |
| ▸ | MMP9 | P14780 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL6512308 | 1.00 | EGFR (0.47) | EGFRUTS2RITGB1ITGA4MMP1 | |
| SCHEMBL6509549 | 0.84 | ITGB1 (0.63) | ITGB1ITGA4CTSA | |
| SCHEMBL6513196 | 0.80 | ITGB1 (0.53) | ITGB1ITGA4KMT2A | |
| SCHEMBL6512395 | 0.79 | ITGB1 (0.49) | ITGB1ITGA4KMT2A | |
| SCHEMBL6520177 | 0.78 | ITGB1 (0.52) | ITGB1ITGA4LMNANPSR1CTSA | |
| SCHEMBL6509698 | 0.78 | ITGB1 (0.48) | ITGB1ITGA4RAB9A | |
| SCHEMBL6512380 | 0.78 | ITGA4 (0.50) | ITGB1ITGA4 | |
| SCHEMBL6509525 | 0.77 | ITGB1 (0.52) | ITGB1ITGA4LMNAMEN1MAPT | |
| SCHEMBL6514009 | 0.77 | ITGB1 (0.58) | ITGB1ITGA4MEN1MAPTKMT2A | |
| SCHEMBL6518236 | 0.77 | ITGB1 (0.52) | ITGB1ITGA4LMNACTSARAB9A |
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 |