Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 16/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL1698218 | 0.91 | CXCR4 (0.37) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL1698240 | 0.83 | CXCR4 (0.45) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL1698222 | 0.78 | CXCR4 (0.44) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL30667255 | 0.77 | CXCR4 (0.42) | CXCR4CYP2D6HDAC1HDAC6KCNH2 | |
| SCHEMBL1698217 | 0.77 | CXCR4 (0.42) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL5021377 | 0.76 | HDAC1 (0.42) | CXCR4CYP2D6HDAC1HDAC6KCNH2 | |
| SCHEMBL1698196 | 0.76 | CXCR4 (0.43) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL4882672 | 0.75 | HDAC1 (0.48) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL4113740 | 0.75 | HDAC1 (0.48) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL12070440 | 0.74 | CXCR4 (0.41) | CXCR4CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8933231-B2 | Organic compounds | GIVAUDAN SA | 2015-01-13 | — | — | US | disclosed |
| US-8933231-B2 | Organic compounds | GIVAUDAN SA | 2015-01-13 | — | — | US | disclosed |
| US-8933231-B2 | Organic compounds | GIVAUDAN SA | 2015-01-13 | — | — | US | disclosed |
| US-20130129655-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2013-05-23 | — | — | US | disclosed |
| US-20130129655-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2013-05-23 | — | — | US | disclosed |
| US-20130129655-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2013-05-23 | — | — | US | disclosed |
| EP-2584916-A1 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161163-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2011-12-29 | — | — | WO | disclosed |
| WO-2011160254-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2011-12-29 | — | — | WO | disclosed |
| WO-2011161163-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2011-12-29 | — | — | WO | disclosed |
| WO-2011160254-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2011-12-29 | — | — | 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-20130129655-A1 | Organic Compounds | C9, C5, TRPA1 | CXCR4 1601/4885CYP2D6 170/4885HDAC1 939/4885 |
“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.