Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.34 |
| ▸ | SGK1 | O00141 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22760739 | 0.96 | PTPN5 (0.38) | PTPN5ADORA2AADORA1ADORA2BSGK1 | |
| SCHEMBL21546798 | 0.94 | PTPN5 (0.38) | PTPN5ADORA2AADORA1ADORA2BSGK1 | |
| SCHEMBL21414111 | 0.92 | KIF11 (0.35) | MEN1KMT2AKIF11MAPK1LMNA | |
| SCHEMBL21032238 | 0.90 | PTPN5 (0.38) | PTPN5ADORA2AADORA1ADORA2BSGK1 | |
| SCHEMBL21547089 | 0.89 | PTPN5 (0.41) | PTPN5ADORA2ASGK1CYP1A2CYP3A4 | |
| SCHEMBL21546777 | 0.89 | KIF11 (0.42) | PTPN5ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL13132856 | 0.89 | PTPN5 (0.39) | PTPN5ADORA2ASGK1CYP1A2CYP3A4 | |
| SCHEMBL22157070 | 0.88 | ADORA2B (0.35) | ADORA2AADORA1ADORA2BKIF11GRIA2 | |
| SCHEMBL22760656 | 0.87 | ADORA2A (0.39) | PTPN5ADORA2AADORA1ADORA2BCYP1A2 | |
| SCHEMBL22564566 | 0.87 | KIF11 (0.41) | KIF11RORCTRPA1 |
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-3478793-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-11-06 | — | — | EP | disclosed |