Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.69 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.69 |
| ▸ | CXCR4 | P61073 | 7/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4562865 | 1.00 | HDAC1 (0.69) | HDAC1HDAC6CXCR4GRIN2BKDM4E | |
| SCHEMBL13909820 | 0.94 | HDAC1 (0.76) | HDAC1HDAC6CXCR4KDM4EALDH1A1 | |
| SCHEMBL21055028 | 0.88 | HDAC1 (0.68) | HDAC1HDAC6CXCR4KDM4EALDH1A1 | |
| SCHEMBL4065807 | 0.88 | HDAC1 (0.68) | HDAC1HDAC6CXCR4GRIN2BKDM4E | |
| SCHEMBL5656928 | 0.88 | HDAC1 (0.61) | HDAC1HDAC6CXCR4KDM4EALDH1A1 | |
| SCHEMBL14025462 | 0.87 | HDAC1 (0.60) | HDAC1HDAC6CXCR4KDM4EALDH1A1 | |
| SCHEMBL4066161 | 0.86 | HDAC1 (0.63) | HDAC1HDAC6CXCR4KDM4EALDH1A1 | |
| SCHEMBL30379489 | 0.86 | HDAC1 (0.61) | HDAC1HDAC6CXCR4CYP2D6 | |
| Bromide SCHEMBL5140296 | 0.85 | HDAC1 (0.62) | HDAC1HDAC6CXCR4KDM4EALDH1A1 | |
| SCHEMBL29823139 | 0.85 | HDAC1 (0.62) | HDAC1HDAC6CXCR4KDM4EALDH1A1 |
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 5 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 |
| 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 (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-20080045537-A1 | Chemical Compounds | CCR5, CXCR4, CXCR3 | HDAC1 844/4885HDAC6 568/4885CXCR4 2/4885 |
“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.