Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414164 | 0.95 | CYP1A2 (0.38) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL22760790 | 0.95 | CYP1A2 (0.46) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL21546497 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL20617092 | 0.88 | RXRA (0.38) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL21546895 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL21414249 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL21546742 | 0.86 | ADORA1 (0.42) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL22761136 | 0.85 | CLK4 (0.58) | CYP1A2CYP3A4CLK4ALDH1A1CYP2D6 | |
| SCHEMBL21414288 | 0.84 | MAP4K4 (0.39) | CYP1A2CYP3A4CLK4ALDH1A1MAP4K4 | |
| SCHEMBL21546684 | 0.84 | MAP4K4 (0.39) | CYP1A2CYP3A4CLK4ALDH1A1MAP4K4 |
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 |