Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.44 |
| ▸ | NPR3 | P17342 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 6/20 | 0.39 |
| ▸ | CTSK | P43235 | 5/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | PTPRB | P23467 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5262088 | 1.00 | KLK5 (0.44) | KLK5NPR3CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL5147793 | 0.93 | ALDH1A1 (0.39) | KLK5NPR3CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL7104303 | 0.92 | ITGB3 (0.48) | NPR3CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL2978498 | 0.92 | ITGB3 (0.48) | NPR3CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL2990954 | 0.86 | TACR1 (0.40) | KLK5NPR3CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL2990961 | 0.86 | TACR1 (0.40) | KLK5NPR3CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL5259419 | 0.84 | ITGB3 (0.43) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL5259415 | 0.84 | ITGB3 (0.43) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL7259564 | 0.82 | KLK5 (0.44) | KLK5NPR3CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL5262134 | 0.81 | CIT (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070238763-A1 | Urea derivatives as integrin a4 antagonists | LABORATORIOS ALMIRALL, S.A. | 2007-10-11 | — | — | US | disclosed |
| EP-1383750-B1 | UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS | ALMIRALL LAB (ES) | 2007-09-26 | — | — | EP | disclosed |
| US-7253171-B2 | Urea derivatives as integrin α4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2007-08-07 | — | — | US | disclosed |
| US-20040142982-A1 | Urea derivatives as integrin alpha 4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2004-07-22 | — | — | 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-20040142982-A1 | Urea derivatives as integrin alpha 4 antagonists | ITGA4, ITGB4, ITGA1 | KLK5 4326/4885NPR3 2494/4885CYP3A4 1421/4885 |
| US-20070238763-A1 | Urea derivatives as integrin a4 antagonists | ITGB4, ITGA4, ITGB7 | KLK5 3000/4885NPR3 4157/4885CYP3A4 325/4885 |
“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.