Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 20/20 | 0.58 |
| ▸ | ITGB1 | P05556 | 14/20 | 0.56 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6477097 | 1.00 | ITGA4 (0.58) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6477018 | 0.94 | ITGA4 (0.63) | ITGA4ITGB1 | |
| SCHEMBL6489408 | 0.93 | ITGA4 (0.61) | ITGA4ITGB1 | |
| SCHEMBL6476751 | 0.91 | ITGA4 (0.69) | ITGA4ITGB1 | |
| SCHEMBL6477907 | 0.91 | ITGA4 (0.69) | ITGA4ITGB1 | |
| SCHEMBL7747276 | 0.91 | ITGA4 (0.69) | ITGA4ITGB1 | |
| SCHEMBL6487038 | 0.91 | ITGA4 (0.69) | ITGA4ITGB1 | |
| SCHEMBL6477092 | 0.90 | ITGA4 (0.71) | ITGA4ITGB1 | |
| SCHEMBL6483969 | 0.87 | ITGA4 (0.58) | ITGA4ITGB1 | |
| SCHEMBL5202908 | 0.85 | ITGA4 (0.73) | ITGA4ITGB1ITGB7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855708-B2 | N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-20030008861-A1 | N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors | MERCK & CO., INC. | 2003-01-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030008861-A1 | N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors | VCAM1, CD4, ITGA4 | ITGA4 3/4885ITGB1 11/4885ITGB7 8/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.