Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21546490 | 0.96 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL21108339 | 0.93 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL21546491 | 0.91 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL19903486 | 0.91 | CHEK1 (0.31) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL19943076 | 0.90 | CHEK1 (0.33) | — | |
| SCHEMBL21546498 | 0.90 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL20156257 | 0.89 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL22760790 | 0.89 | CYP1A2 (0.46) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL21547009 | 0.89 | SYK (0.39) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 | |
| SCHEMBL21414246 | 0.88 | CYP1A2 (0.35) | CYP1A2CYP3A4CLK4ALDH1A1MEN1 |
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 |