Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 7/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL114104 | 0.91 | MTOR (0.46) | KDM4EALDH1A1HTTPIK3CAPIK3CG | |
| SCHEMBL114199 | 0.85 | PTGS2 (0.42) | KDM4EMTORCNR2AOC3MAPK1 | |
| SCHEMBL113921 | 0.83 | HTR1A (0.46) | SMN1; SMN2HTR1ADRD2 | |
| SCHEMBL3732859 | 0.83 | CXCR3 (0.52) | ALDH1A1RAB9AHTR1ADRD2 | |
| SCHEMBL114927 | 0.80 | CHEK1 (0.40) | PIK3CDSMN1; SMN2HTR1ADRD2 | |
| SCHEMBL15925502 | 0.78 | KMT2A (0.46) | ALDH1A1HTTPIK3CAPIK3CGAOC3 | |
| SCHEMBL114084 | 0.78 | ALDH1A1 (0.41) | KDM4EALDH1A1CNR2AOC3MAPK1 | |
| SCHEMBL112194 | 0.75 | SMN1; SMN2 (0.52) | ALDH1A1HTTPOLBCYP2C9SMN1; SMN2 | |
| SCHEMBL113234 | 0.75 | CXCR3 (0.49) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL163663 | 0.75 | CXCR3 (0.46) | HTTAOC3POLB |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424840-B1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-08-06 | — | — | EP | disclosed |
| 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 |
| EP-2424840-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | 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 | KDM4E 3994/4885ALDH1A1 1298/4885HTT 4560/4885 |
“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.