Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 1/20 | 0.46 |
| ▸ | IDH2 | P48735 | 3/20 | 0.45 |
| ▸ | CCR2 | P41597 | 15/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2275479 | 1.00 | PAK1 (0.46) | PAK1IDH2CCR2LCKMAPK14 | |
| SCHEMBL2273727 | 0.96 | KIF11 (0.44) | PAK1IDH2CCR2KCNH2 | |
| SCHEMBL2267997 | 0.96 | KIF11 (0.44) | PAK1IDH2CCR2KCNH2 | |
| SCHEMBL2275026 | 0.96 | KIF11 (0.44) | PAK1IDH2CCR2KCNH2 | |
| SCHEMBL2269744 | 0.92 | IDH2 (0.45) | PAK1IDH2CCR2KCNH2 | |
| SCHEMBL2270203 | 0.92 | IDH2 (0.45) | PAK1IDH2CCR2KCNH2 | |
| SCHEMBL2274930 | 0.89 | PHGDH (0.46) | PAK1IDH2CCR2KCNH2 | |
| SCHEMBL2269546 | 0.89 | PHGDH (0.46) | PAK1IDH2CCR2KCNH2 | |
| SCHEMBL2270241 | 0.87 | PAK1 (0.44) | PAK1IDH2CCR2 | |
| SCHEMBL2221892 | 0.87 | PAK1 (0.44) | PAK1IDH2CCR2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130029971-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-31 | — | — | US | claimed |
| WO-2011084985-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-14 | — | — | WO | claimed |
| US-8952004-B2 | CXCR3 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-8952004-B2 | CXCR3 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-20130029971-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-31 | — | — | US | disclosed |
| US-20130029971-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-31 | — | — | US | disclosed |
| WO-2011084985-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-14 | — | — | 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-20130029971-A1 | CXCR3 RECEPTOR ANTAGONISTS | CXCR3, CXCR1, CXCR2 | PAK1 1014/4885IDH2 2732/4885CCR2 13/4885 |
“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.