Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.40 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | OGG1 | O15527 | 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 | |
|---|---|---|---|---|
| SCHEMBL3821001 | 0.91 | P2RX3 (0.48) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3821011 | 0.90 | TSHR (0.43) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL2895820 | 0.82 | P2RX3 (0.45) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3822470 | 0.82 | P2RX3 (0.63) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3848540 | 0.81 | P2RX3 (0.45) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3819048 | 0.81 | P2RX3 (0.48) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3820442 | 0.81 | P2RX3 (0.43) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3812735 | 0.81 | P2RX3 (0.43) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3817623 | 0.80 | P2RX3 (0.43) | ALDH1A1HPGDKDM4ETDP1P2RX3 | |
| SCHEMBL3819978 | 0.80 | P2RX3 (0.47) | ALDH1A1HPGDKDM4ETDP1P2RX3 |
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-2089354-A1 | NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Korea Research Institute Of Chemical Technology (KR) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008054154-A1 | NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-05-08 | — | — | WO | disclosed |