Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 9/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7227630 | 1.00 | KMT2A (0.45) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL7227633 | 1.00 | KMT2A (0.45) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL21519754 | 0.92 | ITGB1 (0.49) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL5201121 | 0.92 | ITGB1 (0.49) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL7227199 | 0.79 | CNR1 (0.39) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL7227202 | 0.79 | CNR1 (0.39) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL7227210 | 0.79 | CNR1 (0.39) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL5200881 | 0.78 | CNR1 (0.41) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL5201582 | 0.78 | CNR1 (0.41) | KMT2AMEN1CNR1ITGB1ITGA4 | |
| SCHEMBL5201586 | 0.78 | CNR1 (0.41) | KMT2AMEN1CNR1ITGB1ITGA4 |
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-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |