Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 6/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 8/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL115409 | 0.92 | CXCR3 (0.57) | CXCR3KCNH2GRIN1GRIN2BCHRM1 | |
| SCHEMBL113350 | 0.92 | CXCR3 (0.51) | CXCR3KCNH2GRIN1GRIN2BCHRM1 | |
| SCHEMBL165523 | 0.91 | CXCR3 (0.44) | CXCR3KCNH2GRIN1GRIN2BCHRM1 | |
| SCHEMBL169464 | 0.90 | CXCR3 (0.52) | CXCR3KCNH2CHRM1CHRM2 | |
| SCHEMBL15925565 | 0.85 | CXCR3 (0.44) | CXCR3KCNH2GRIN1GRIN2BCHRM1 | |
| SCHEMBL164266 | 0.84 | CXCR3 (0.38) | CXCR3KCNH2DGAT1CHRM1CHRM2 | |
| SCHEMBL113184 | 0.83 | CXCR3 (0.40) | CXCR3DGAT1CHRM1CHRM2CHRM3 | |
| SCHEMBL164210 | 0.82 | CXCR3 (0.60) | CXCR3KCNH2GRIN1GRIN2B | |
| SCHEMBL167594 | 0.82 | CXCR3 (0.46) | CXCR3KCNH2GRIN1GRIN2B | |
| SCHEMBL165135 | 0.82 | CXCR3 (0.55) | CXCR3KCNH2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100280028-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | US | claimed |
| EP-2424840-B1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-08-06 | — | — | EP | disclosed |
| US-8450317-B2 | CXCR3 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-28 | — | — | US | disclosed |
| US-8450317-B2 | CXCR3 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-28 | — | — | US | disclosed |
| US-8450317-B2 | CXCR3 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-28 | — | — | US | disclosed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |
| US-20100280028-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | US | disclosed |
| US-20100280028-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | US | disclosed |
| US-20100280028-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | 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-20100280028-A1 | CXCR3 RECEPTOR ANTAGONISTS | CXCR3, CXCR1, CXCR2 | CXCR3 1/4885KCNH2 1561/4885GRIN1 677/4885 |
“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.