Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4024169 | 1.00 | OPRK1 (0.41) | OPRK1CCR5SLC6A2ALDH1A1KDM4E | |
| SCHEMBL4022452 | 0.81 | ALDH1A1 (0.40) | CCR5ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4021145 | 0.81 | ALDH1A1 (0.40) | CCR5ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4019552 | 0.79 | CCR5 (0.38) | CCR5ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4022877 | 0.79 | CCR5 (0.38) | CCR5ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4029507 | 0.79 | CCR5 (0.38) | CCR5ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4019550 | 0.79 | CCR5 (0.38) | CCR5ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4020636 | 0.78 | SLC6A2 (0.46) | OPRK1SLC6A2KDM4ESLC6A3SLC6A4 | |
| SCHEMBL4020339 | 0.78 | SLC6A2 (0.46) | OPRK1SLC6A2KDM4ESLC6A3SLC6A4 | |
| SCHEMBL13720695 | 0.72 | SLC6A2 (0.41) | OPRK1SLC6A2KDM4ESLC6A3SLC6A4 |
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-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| 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-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| EP-1569934-B1 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-23 | — | — | EP | disclosed |
| EP-1569934-B1 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-23 | — | — | EP | disclosed |
| US-20060052408-A1 | Cyclopropyl compounds as ccr5 antagonists | SMITHKLINE BEECHAM CORPORATION | 2006-03-09 | — | — | 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-20060052408-A1 | Cyclopropyl compounds as ccr5 antagonists | CCR5, CCR1, CCL5 | OPRK1 58/4885CCR5 1/4885SLC6A2 1961/4885 |
“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.