Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 16/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.62 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.62 |
| ▸ | TSHR | P16473 | 7/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | USP2 | O75604 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL2198662 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2197166 | 0.87 | EGFR (0.53) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2194237 | 0.85 | CYP1A2 (0.53) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2198139 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL13146631 | 0.83 | POLB (0.55) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2196713 | 0.83 | BRD4 (0.46) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2198146 | 0.81 | CLK4 (0.50) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2196718 | 0.81 | TSHR (0.44) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2194246 | 0.80 | EPHX2 (0.42) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2196960 | 0.75 | CYP1A2 (0.60) | CYP3A4CYP2C19CYP2D6ALDH1A1HSD17B10 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1888541-B1 | BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |
| EP-1888541-A1 | BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006122799-A1 | BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | claimed |
| US-7977360-B2 | Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands | GRUENENTHAL GMBH (DE) | 2011-07-12 | — | — | US | disclosed |
| EP-1888541-B1 | BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | disclosed |
| US-20090042945-A1 | Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands | GRUENENTHAL GMBH (DE) | 2009-02-12 | — | — | US | disclosed |
| EP-1888541-A1 | BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006122799-A1 | BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | 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-20090042945-A1 | Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands | TRPV1, TRPV3, TRPV5 | CYP3A4 716/4885CYP2C19 1078/4885CYP2D6 1223/4885 |
“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.