Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL21744459 | 0.93 | HDAC1 (0.45) | HDAC1HDAC6CXCR4ADORA2ASCN1A | |
| SCHEMBL18157989 | 0.92 | HDAC1 (0.52) | HDAC1HDAC6CXCR4ADORA2ASCN1A | |
| SCHEMBL14130906 | 0.89 | HDAC1 (0.44) | HDAC1HDAC6CXCR4 | |
| SCHEMBL30096647 | 0.88 | HDAC1 (0.49) | HDAC1HDAC6ADORA2AP2RX7MAPK1 | |
| SCHEMBL4710642 | 0.84 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL5059176 | 0.84 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL5057601 | 0.84 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL3081802 | 0.82 | HDAC1 (0.50) | HDAC1HDAC6CXCR4ADORA2ASCN1A | |
| SCHEMBL4891510 | 0.82 | HDAC1 (0.50) | HDAC1HDAC6CXCR4ADORA2ASCN1A | |
| SCHEMBL3088474 | 0.82 | HDAC1 (0.50) | HDAC1HDAC6CXCR4ADORA2ASCN1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080045537-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-02-21 | — | — | US | disclosed |
| US-20080045537-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-02-21 | — | — | US | disclosed |
| US-20080045537-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-02-21 | — | — | US | disclosed |
| US-20070232615-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2007-10-04 | — | — | US | disclosed |
| EP-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | 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 (2 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-20080045537-A1 | Chemical Compounds | CCR5, CXCR4, CXCR3 | HDAC1 844/4885HDAC6 568/4885CXCR4 2/4885 |
| US-20070232615-A1 | Chemical Compounds | CXCR4, CCR5, CXCR3 | HDAC1 815/4885HDAC6 563/4885CXCR4 1/4885 |
“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.