Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.49 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.37 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 10/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3821057 | 1.00 | P2RX3 (0.49) | P2RX3ADAMTS4ADAMTS5BCHEACHE | |
| SCHEMBL17043083 | 1.00 | P2RX3 (0.49) | P2RX3ADAMTS4ADAMTS5BCHEACHE | |
| SCHEMBL1307396 | 0.93 | P2RX3 (0.51) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E | |
| SCHEMBL1307393 | 0.93 | P2RX3 (0.51) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E | |
| SCHEMBL1307398 | 0.93 | P2RX3 (0.51) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E | |
| SCHEMBL3866120 | 0.89 | P2RX3 (0.49) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E | |
| SCHEMBL3866126 | 0.89 | P2RX3 (0.49) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E | |
| SCHEMBL3866128 | 0.89 | P2RX3 (0.49) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E | |
| SCHEMBL1308805 | 0.89 | P2RX3 (0.54) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E | |
| SCHEMBL1308808 | 0.89 | P2RX3 (0.54) | P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E |
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-2913322-A2 | Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same | Korea Research Institute Of Chemical Technology (KR) | 2015-09-02 | — | — | EP | disclosed |