Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.36 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.36 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11624184 | 0.94 | LCK (0.39) | LCKPPARDZDHHC20ZDHHC2ZDHHC7 | |
| SCHEMBL11702599 | 0.92 | LCK (0.42) | LCKPPARDZDHHC20ZDHHC2ZDHHC7 | |
| SCHEMBL11620737 | 0.83 | LCK (0.50) | LCKPPARDZDHHC20ZDHHC2ZDHHC7 | |
| SCHEMBL28260245 | 0.79 | LCK (0.62) | LCKPPARDZDHHC20ZDHHC2ZDHHC7 | |
| SCHEMBL4594533 | 0.77 | LCK (0.39) | LCKPPARDZDHHC20ZDHHC2ZDHHC7 | |
| SCHEMBL5905872 | 0.77 | — | — | |
| SCHEMBL11624200 | 0.76 | ALDH1A1 (0.32) | CHRNB2CHRNA4ALDH1A1TSHR | |
| SCHEMBL23670668 | 0.72 | — | — | |
| SCHEMBL6584107 | 0.72 | — | — | |
| SCHEMBL2597065 | 0.72 | — | — |
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-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | US | disclosed |
| US-4072498-A | HERBICIDES | THE UPJOHN COMPANY (US) | 1978-02-07 | — | — | 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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | LCK 755/4885PPARD 248/4885ZDHHC20 2772/4885 |
“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.