Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 14/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.51 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6802711 | 0.91 | CALCRL (0.63) | CALCRLCYP3A4OPRM1ALDH1A1RAMP1 | |
| SCHEMBL6802695 | 0.89 | CALCRL (0.61) | CALCRLCYP3A4OPRM1ALDH1A1RAMP1 | |
| SCHEMBL6809309 | 0.83 | CALCRL (0.54) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL6562471 | 0.82 | ITGB1 (0.61) | ITGB1ITGA4 | |
| SCHEMBL4698557 | 0.80 | CALCRL (0.65) | CALCRLCYP3A4OPRM1ALDH1A1RAMP1 | |
| SCHEMBL4698559 | 0.80 | CALCRL (0.65) | CALCRLCYP3A4OPRM1ALDH1A1RAMP1 | |
| SCHEMBL8279362 | 0.79 | ITGB1 (0.64) | CALCRLCYP3A4OPRM1RAMP1ITGB1 | |
| SCHEMBL3963833 | 0.78 | CALCRL (0.81) | CALCRLCYP3A4ALDH1A1RAMP1 | |
| SCHEMBL6560958 | 0.76 | ITGB1 (0.57) | ITGB1ITGA4 | |
| SCHEMBL6803011 | 0.76 | CALCRL (0.52) | CALCRLCYP3A4ALDH1A1 |
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-20040039040-A1 | Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient | TORAY INDUSTRIES, INC. (JP) | 2004-02-26 | — | — | US | disclosed |
| EP-1323709-A1 | UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2003-07-02 | — | — | EP | 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-20040039040-A1 | Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient | ICAM1, VCAM1, EPCAM | CALCRL 1811/4885CYP3A4 3783/4885OPRM1 766/4885 |
“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.