Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4163977 | 0.86 | MLYCD (0.46) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL4169533 | 0.85 | MAPT (0.41) | ALDH1A1POLBMEN1KMT2AHPGD | |
| SCHEMBL4158065 | 0.82 | CES1 (0.45) | NPY1RALDH1A1CES1KMT2AHPGD | |
| SCHEMBL4166891 | 0.81 | CES1 (0.52) | NPY1RPOLBCES1HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL4304780 | 0.79 | CES1 (0.50) | NPY1RCES1HDAC1HDAC2 | |
| SCHEMBL4169539 | 0.79 | MAPT (0.41) | ALDH1A1POLBHTTHPGDMAPT | |
| SCHEMBL4605614 | 0.79 | CES1 (0.45) | NPY1RALDH1A1CES1MEN1KMT2A | |
| SCHEMBL4605724 | 0.77 | CES1 (0.46) | NPY1RCES1HDAC1HDAC2 | |
| SCHEMBL4174440 | 0.77 | SHMT1 (0.41) | NPY1RALDH1A1HTTHPGDKDM4E | |
| SCHEMBL4607677 | 0.76 | HPGD (0.62) | ALDH1A1POLBMEN1KMT2ACYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |