Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 19/20 | 0.63 |
| ▸ | ITGB1 | P05556 | 11/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6789989 | 1.00 | ITGA4 (0.63) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL5242043 | 0.93 | ITGA4 (0.70) | ITGA4ITGB1 | |
| SCHEMBL5242046 | 0.93 | ITGA4 (0.70) | ITGA4ITGB1 | |
| SCHEMBL6795582 | 0.88 | ITGA4 (0.65) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL6295553 | 0.87 | ITGA4 (0.70) | ITGA4ITGB1 | |
| SCHEMBL6795229 | 0.85 | ITGA4 (0.65) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL7133142 | 0.83 | ITGA4 (0.64) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL6295345 | 0.82 | ITGA4 (0.70) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL5320660 | 0.82 | ITGA4 (0.70) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL6295344 | 0.82 | ITGA4 (0.70) | ITGA4ITGB1CYP3A4 |
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-20040102478-A1 | Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors | MERCK & CO., INC. | 2004-05-27 | — | — | 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-20040102478-A1 | Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors | VCAM1, CD4, ICAM1 | ITGA4 4/4885ITGB1 28/4885CYP3A4 597/4885 |
“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.