Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 5/20 | 0.39 |
| ▸ | CHRNG | P07510 | 5/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 5/20 | 0.39 |
| ▸ | CHRND | Q07001 | 5/20 | 0.39 |
| ▸ | CNR2 | P34972 | 4/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4161122 | 0.86 | NPC1 (0.46) | CES1HDAC1HDAC2KMT2A | |
| Trifluoroacetic Acid SCHEMBL4158022 | 0.85 | HDAC1 (0.38) | CES1HDAC1HDAC2NPY1RBCAT2 | |
| SCHEMBL4606734 | 0.82 | NPY1R (0.46) | CES1HDAC1HDAC2NPY1RALDH1A1 | |
| SCHEMBL4166891 | 0.82 | CES1 (0.52) | CES1HDAC1HDAC2NPY1RCHRNA1 | |
| SCHEMBL4159834 | 0.81 | EPHX2 (0.43) | HDAC1HDAC2CTSLCTSBCTSS | |
| Trifluoroacetic Acid SCHEMBL4304780 | 0.80 | CES1 (0.50) | CES1HDAC1HDAC2NPY1RCNR2 | |
| SCHEMBL4620748 | 0.80 | LMNA (0.40) | ALDH1A1KMT2A | |
| SCHEMBL4166649 | 0.80 | HDAC1 (0.38) | CES1HDAC1HDAC2NPY1RCTSB | |
| SCHEMBL4605614 | 0.79 | CES1 (0.45) | CES1HDAC1HDAC2NPY1RCNR2 | |
| SCHEMBL4605724 | 0.78 | CES1 (0.46) | CES1HDAC1HDAC2NPY1RCTSL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054448-A1 | Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors | JONES PHILIP | 2009-02-26 | — | — | US | disclosed |
| EP-1945609-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007029036-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-03-15 | — | — | 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-20090054448-A1 | Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors | HDAC5, HDAC1, HDAC11 | CES1 1925/4885HDAC1 2/4885HDAC2 7/4885 |
“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.