Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13719813 | 0.84 | KDM4E (0.44) | EPHX2ACLYSMN1; SMN2WDR5 | |
| SCHEMBL13544287 | 0.84 | ACLY (0.44) | CA2CA1ACLYPTGS1PTGS2 | |
| SCHEMBL3527898 | 0.83 | PDK2 (0.44) | CA2CA1ACLYMAPK1SMN1; SMN2 | |
| SCHEMBL2080151 | 0.83 | CA2 (0.45) | CA2CA1PTPN11ACLYPTGS1 | |
| Hydrochloric Acid SCHEMBL3527460 | 0.83 | ACLY (0.43) | CA2CA1ACLYPTGS1PTGS2 | |
| SCHEMBL13747717 | 0.82 | CA2 (0.39) | CA2CA1EPHX2ACLYMAPK1 | |
| SCHEMBL13719928 | 0.81 | CA2 (0.49) | CA2CA1PTPN11EPHX2MAPK1 | |
| SCHEMBL13719477 | 0.77 | CA2 (0.45) | CA2CA1PTPN11EPHX2MAPK1 | |
| SCHEMBL13719761 | 0.77 | CA2 (0.45) | CA2CA1PTPN11EPHX2MAPK1 | |
| SCHEMBL13719745 | 0.74 | CA2 (0.48) | CA2CA1PTPN11EPHX2ACLY |
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-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| US-7531661-B2 | Indane compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-12 | — | — | US | disclosed |
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | AQUINO CHRISTOPHER JOSEPH | 2009-02-26 | — | — | US | disclosed |
| US-7452992-B2 | inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole | SMITHKLINE BEECHAM CORPORATION (US) | 2008-11-18 | — | — | US | disclosed |
| US-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | 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-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR1 | CA2 4661/4885CA1 4865/4885PTPN11 3993/4885 |
“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.