Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL22562447 | 0.97 | KDM4E (0.41) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562446 | 0.91 | KDM4E (0.43) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562445 | 0.90 | KDM4E (0.41) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562294 | 0.88 | CYP11B1 (0.38) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562517 | 0.87 | CSNK2A1 (0.40) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562190 | 0.87 | TGFBR1 (0.40) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562248 | 0.86 | NPSR1 (0.34) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562252 | 0.84 | MAPK1 (0.38) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL22562603 | 0.84 | ALDH1A3 (0.46) | CYP1A2CYP2C9CYP2C19ADORA2AADORA1 | |
| SCHEMBL22562206 | 0.84 | ADORA1 (0.44) | KDM4EMAPTL3MBTL1CYP1A2CYP2C9 |
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-3418278-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |