Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCDIN3D | Q7Z5W3 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17196263 | 0.79 | KDM4E (0.40) | ADORA2AADORA1ALDH1A1KDM4EGAA | |
| SCHEMBL22927645 | 0.76 | TSHR (0.48) | ADORA2AADORA1ALDH1A1TNFGRM4 | |
| SCHEMBL29434770 | 0.76 | TSHR (0.48) | ADORA2AADORA1ALDH1A1TNFGRM4 | |
| Hydrochloric Acid SCHEMBL29908241 | 0.75 | TSHR (0.46) | ADORA2AADORA1ALDH1A1TNFGRM4 | |
| SCHEMBL30554313 | 0.71 | GLA (0.44) | ALDH1A1TNFCLK4S1PR1GRM4 | |
| SCHEMBL1719895 | 0.71 | GLA (0.44) | ALDH1A1TNFCLK4S1PR1GRM4 | |
| SCHEMBL1002822 | 0.71 | GLA (0.44) | ALDH1A1TNFCLK4S1PR1GRM4 | |
| SCHEMBL5861621 | 0.71 | GLA (0.44) | ALDH1A1TNFCLK4S1PR1GRM4 | |
| SCHEMBL2939744 | 0.70 | GRM4 (0.44) | ALDH1A1TNFCLK4S1PR1GRM4 | |
| Hydrochloric Acid SCHEMBL1669311 | 0.70 | ADRA1D (0.44) | ALDH1A1TNFCLK4S1PR1GRM4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015178732-A1 | MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-11-26 | — | — | WO | disclosed |