Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.53 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13602469 | 0.87 | CA2 (0.44) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL13719928 | 0.84 | CA2 (0.49) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL2732048 | 0.84 | KMT2A (0.60) | CA2MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL6003301 | 0.83 | FABP4 (0.49) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL13869091 | 0.83 | CA2 (0.41) | PDK1PDK2PDK3PDK4CA2 | |
| Hydrochloric Acid SCHEMBL810 | 0.83 | KMT2A (0.58) | CA2MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL13689896 | 0.82 | CA2 (0.43) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL3529403 | 0.80 | KMT2A (0.55) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL13544287 | 0.79 | ACLY (0.44) | CA2PTGS1PTGS2CA1 | |
| Hydrochloric Acid SCHEMBL3527460 | 0.78 | ACLY (0.43) | CA2PTGS1PTGS2CA1 |
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-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-20060229336-A1 | Ccr5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORPORATION | 2006-10-12 | — | — | US | disclosed |
| CN-1744899-A | Piperidine derivatives as CCR5 antagonists | SMITHKLINE BEECHAM CORP (US) | 2006-03-08 | — | — | CN | disclosed |
| EP-1569646-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054974-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | 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-20060229336-A1 | Ccr5 antagonists as therapeutic agents | CCR5, CCR1, CXCR3 | PDK1 1772/4885PDK2 2053/4885PDK3 2241/4885 |
“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.