Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 14/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.50 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7228008 | 1.00 | ITGB1 (0.50) | ITGB1ITGA4ITGB7MMP1MMP3 | |
| SCHEMBL5201269 | 0.81 | ITGB1 (0.58) | ITGB1ITGA4ITGB7CNR1 | |
| SCHEMBL5201278 | 0.81 | ITGB1 (0.58) | ITGB1ITGA4ITGB7CNR1 | |
| SCHEMBL3904073 | 0.80 | ITGB1 (0.67) | ITGB1ITGA4ITGB7MMP13 | |
| SCHEMBL3904078 | 0.80 | ITGB1 (0.67) | ITGB1ITGA4ITGB7MMP13 | |
| SCHEMBL2988722 | 0.79 | ITGB1 (0.66) | ITGB1ITGA4ITGB7MMP13 | |
| SCHEMBL2988718 | 0.79 | ITGB1 (0.66) | ITGB1ITGA4ITGB7MMP13 | |
| SCHEMBL6498571 | 0.78 | MMP1 (0.55) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL7226992 | 0.76 | ITGB1 (0.50) | ITGB1ITGA4ITGB7MMP1MMP3 | |
| SCHEMBL7226993 | 0.76 | ITGB1 (0.50) | ITGB1ITGA4ITGB7MMP1MMP3 |
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 |