Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CETP | P11597 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629666 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDHDAC3HDAC4 | |
| SCHEMBL4629901 | 0.93 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDHDAC3HDAC4 | |
| SCHEMBL4629972 | 0.86 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDGAAHTT | |
| SCHEMBL12260000 | 0.84 | THRB (0.45) | ALDH1A1KDM4EHPGDHDAC3HDAC4 | |
| SCHEMBL12259994 | 0.84 | THRB (0.45) | ALDH1A1KDM4EHPGDHDAC3HDAC4 | |
| SCHEMBL12278100 | 0.84 | THRB (0.45) | ALDH1A1KDM4EHPGDHDAC3HDAC4 | |
| SCHEMBL6340299 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDHDAC3HDAC4 | |
| SCHEMBL12278366 | 0.82 | THRB (0.42) | ALDH1A1KDM4EHPGDHDAC3HDAC4 | |
| SCHEMBL4629467 | 0.81 | GAA (0.61) | ALDH1A1KDM4EHPGDHDAC6GAA | |
| SCHEMBL8911305 | 0.80 | SLC6A2 (0.54) | ALDH1A1LMNACETPMMP1MMP7 |
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-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |