Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPY1R | P25929 | 1/20 | 0.50 |
| ▸ | NPY2R | P49146 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19789175 | 0.95 | TP53 (0.51) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL18088085 | 0.87 | TP53 (0.57) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL18088012 | 0.84 | TP53 (0.56) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL24653613 | 0.84 | MAPT (0.54) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL3114887 | 0.84 | KMT2A (0.67) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL18087996 | 0.83 | TP53 (0.55) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL18088102 | 0.82 | TP53 (0.54) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL18088016 | 0.82 | HDAC1 (0.58) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL19789110 | 0.82 | TP53 (0.50) | TP53MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL19789132 | 0.81 | HDAC1 (0.47) | TP53MAPTKMT2ANPSR1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3272742-A1 | HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-01-24 | — | — | EP | disclosed |