Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 7/20 | 0.51 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7361891 | 1.00 | ITGB1 (0.51) | ITGB1ITGA4POLBBIRC2TSHR | |
| SCHEMBL7352287 | 0.90 | ITGB1 (0.59) | ITGB1ITGA4 | |
| SCHEMBL7352276 | 0.90 | ITGB1 (0.59) | ITGB1ITGA4 | |
| SCHEMBL7362255 | 0.89 | ITGB1 (0.57) | ITGB1ITGA4ALDH1A1GAARAB9A | |
| SCHEMBL7348625 | 0.89 | ITGB1 (0.46) | ITGB1ITGA4POLBBIRC2TSHR | |
| SCHEMBL7362260 | 0.89 | ITGB1 (0.57) | ITGB1ITGA4ALDH1A1GAARAB9A | |
| SCHEMBL7348616 | 0.89 | ITGB1 (0.46) | ITGB1ITGA4POLBBIRC2TSHR | |
| SCHEMBL7352253 | 0.88 | ITGB1 (0.45) | ITGB1ITGA4POLBBIRC2CNR2 | |
| SCHEMBL7352242 | 0.88 | ITGB1 (0.45) | ITGB1ITGA4POLBBIRC2CNR2 | |
| SCHEMBL7359623 | 0.85 | ITGB1 (0.47) | 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 |