Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 16/20 | 0.67 |
| ▸ | ITGA4 | P13612 | 16/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5700822 | 0.87 | ITGB1 (0.70) | ITGB1ITGA4MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL7649726 | 0.85 | ITGB1 (0.75) | ITGB1ITGA4MEN1KMT2ACTSD | |
| Trifluoroacetic Acid SCHEMBL7649354 | 0.85 | ITGB1 (0.75) | ITGB1ITGA4MEN1KMT2ACTSD | |
| Trifluoroacetic Acid SCHEMBL5700819 | 0.83 | ITGB1 (0.69) | ITGB1ITGA4MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5701080 | 0.83 | ITGB1 (0.69) | ITGB1ITGA4MEN1KMT2A | |
| SCHEMBL7390857 | 0.82 | ITGB1 (0.77) | ITGB1ITGA4MEN1KMT2A | |
| SCHEMBL5700942 | 0.81 | ITGB1 (0.85) | ITGB1ITGA4MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5701039 | 0.81 | ITGB1 (0.68) | ITGB1ITGA4MEN1KMT2A | |
| SCHEMBL5700911 | 0.80 | ITGB1 (0.82) | ITGB1ITGA4MEN1KMT2A | |
| SCHEMBL5700828 | 0.79 | ITGB1 (0.63) | ITGB1ITGA4MEN1KMT2A |
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-6479519-B1 | INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE | AVENTIS PHARMA LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |