Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 19/20 | 0.62 |
| ▸ | ITGB1 | P05556 | 13/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8260114 | 0.90 | CYP3A4 (0.59) | ITGA4ITGB1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4308203 | 0.89 | CYP3A4 (0.58) | ITGA4ITGB1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4313669 | 0.84 | ITGA4 (0.58) | ITGA4ITGB1 | |
| Hydrochloric Acid SCHEMBL4313677 | 0.84 | ITGA4 (0.58) | ITGA4ITGB1 | |
| SCHEMBL6477502 | 0.78 | ITGA4 (0.62) | ITGA4ITGB1 | |
| SCHEMBL4314579 | 0.78 | ITGA4 (0.66) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL8257088 | 0.75 | ITGA4 (0.49) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL4312937 | 0.74 | ITGA4 (0.83) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL7263990 | 0.74 | ITGB1 (1.00) | ITGA4ITGB1 | |
| SCHEMBL6509079 | 0.74 | ITGB1 (0.84) | ITGA4ITGB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514409-B2 | VLA-4 antagonists | MERCK & CO., INC. (US) | 2009-04-07 | — | — | US | disclosed |
| US-20090069376-A1 | VLA-4 Antagonists | MERCK SHARP & DOHME CORP. | 2009-03-12 | — | — | US | disclosed |
| US-20070179190-A1 | Vla-4 antagonists | MERCK & CO., INC. (US) | 2007-08-02 | — | — | 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 (2 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-20070179190-A1 | Vla-4 antagonists | VCAM1, ITGA4, ITGB4 | ITGA4 2/4885ITGB1 9/4885CYP3A4 900/4885 |
| US-20090069376-A1 | VLA-4 Antagonists | VCAM1, SELPLG, ITGB4 | ITGA4 4/4885ITGB1 15/4885CYP3A4 1795/4885 |
“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.