Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 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 | |
|---|---|---|---|---|
| SCHEMBL21546601 | 0.97 | ELANE (0.38) | ELANEBRD4CYP1A2CYP3A4CLK4 | |
| SCHEMBL22761047 | 0.92 | MCHR1 (0.37) | ELANEBRD4CYP1A2CYP3A4CLK4 | |
| SCHEMBL21546855 | 0.92 | ELANE (0.38) | ELANEBRD4CYP1A2CYP3A4CLK4 | |
| SCHEMBL22761086 | 0.91 | ELANE (0.36) | ELANEBRD4CYP1A2CYP3A4CLK4 | |
| SCHEMBL21546905 | 0.90 | ADORA2A (0.38) | BRD4CYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL21546591 | 0.90 | ELANE (0.38) | ELANEBRD4CYP1A2CYP3A4CLK4 | |
| SCHEMBL22760939 | 0.89 | ELANE (0.38) | ELANECYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL21414208 | 0.89 | USP14 (0.35) | ALDH1A1KDM4E | |
| SCHEMBL21546631 | 0.89 | ALDH1A3 (0.38) | BRD4CLK4ADORA2AADRA2CENPP1 | |
| SCHEMBL21546584 | 0.89 | SYK (0.36) | ELANEBRD4CYP1A2CYP3A4CLK4 |
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 |