Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.49 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19301216 | 0.85 | HRH4 (0.46) | HRH4ADORA2ANUDT1LIMK1CDK5 | |
| SCHEMBL18018080 | 0.84 | TNKS (0.40) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL16902195 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL16902239 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL18017760 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL18017898 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL18017815 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL18017908 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL18017762 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL18017773 | 0.84 | MEN1 (0.44) | HRH4LIMK1CDK5CDK5R1ALDH1A1 |
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-3305792-A1 | NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME | LG Chem, Ltd. (KR) | 2018-04-11 | — | — | EP | disclosed |