Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.57 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7352549 | 0.92 | ITGB1 (0.68) | ITGB1ITGA4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27574644 | 0.92 | ITGB1 (0.68) | ITGB1ITGA4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7358843 | 0.90 | ITGB1 (0.58) | ITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL7362255 | 0.90 | ITGB1 (0.57) | ITGB1ITGA4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7362260 | 0.90 | ITGB1 (0.57) | ITGB1ITGA4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7348957 | 0.83 | ITGB1 (0.49) | ITGB1ITGA4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7354181 | 0.82 | ITGB1 (0.50) | ITGB1ITGA4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7356671 | 0.82 | ITGB1 (0.67) | ITGB1ITGA4 | |
| SCHEMBL7356657 | 0.82 | ITGB1 (0.67) | ITGB1ITGA4 | |
| SCHEMBL7352018 | 0.82 | ITGB1 (0.69) | ITGB1ITGA4 |
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-6166050-A | 3,4-diamino-3-cyclobutene-1,2-dione derivatives which inhibit leukocyte adhesion mediated by VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-12-26 | — | — | US | disclosed |