Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8028321 | 1.00 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| SCHEMBL24707932 | 0.98 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| SCHEMBL304701 | 0.98 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| SCHEMBL29781191 | 0.95 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| SCHEMBL21915824 | 0.92 | CYP2C19 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL1721615 | 0.92 | CYP2C19 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL24038017 | 0.92 | CYP2C19 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL15751346 | 0.86 | KMT2A (0.51) | CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL6594948 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL8874259 | 0.84 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 |
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 4 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 |
| 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 | CYP3A4 1724/4885CYP2C9 2782/4885CYP2C19 2192/4885 |
“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.