Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 7/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1307084 | 0.96 | P2RX3 (0.41) | P2RX3KDM4ECASP3CASP1CASP7 | |
| SCHEMBL1306858 | 0.91 | ALDH1A1 (0.39) | P2RX3KDM4ECASP3CASP1CASP7 | |
| SCHEMBL1306843 | 0.90 | KMT2A (0.37) | P2RX3KDM4ECASP3CASP1CASP7 | |
| SCHEMBL1307949 | 0.90 | P2RX3 (0.50) | P2RX3DRD4DRD2SIGMAR1 | |
| SCHEMBL1308301 | 0.89 | KMT2A (0.48) | P2RX3KDM4ECASP3CASP1CASP7 | |
| SCHEMBL1308082 | 0.89 | KMT2A (0.40) | P2RX3KDM4ECASP3CASP1CASP7 | |
| SCHEMBL1306121 | 0.89 | KMT2A (0.37) | P2RX3KDM4ECASP3CASP1CASP7 | |
| SCHEMBL1307002 | 0.88 | MEN1 (0.40) | P2RX3DRD4DRD2MEN1KMT2A | |
| SCHEMBL1306723 | 0.88 | KDM4E (0.43) | P2RX3KDM4EDRD4ALDH1A1HPGD | |
| SCHEMBL1306726 | 0.88 | KDM4E (0.43) | P2RX3KDM4EDRD4ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-8053435-B2 | Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2011-11-08 | — | — | US | disclosed |