Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | EDNRB | P24530 | 2/20 | 0.46 |
| ▸ | EDNRA | P25101 | 2/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL18134601 | 0.84 | CYP1A2 (1.00) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL30713645 | 0.83 | CYP1A2 (0.53) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL21888240 | 0.83 | MAPK1 (0.53) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL26119454 | 0.83 | MAPK1 (0.53) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL20082694 | 0.83 | CYP1A2 (0.53) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL24521252 | 0.80 | CYP1A2 (0.50) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL20783439 | 0.80 | CYP1A2 (0.54) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL10042990 | 0.80 | CYP1A2 (0.50) | CYP1A2MAPK1EDNRBEDNRAPTPRC | |
| SCHEMBL14804289 | 0.79 | MAPK1 (0.53) | CYP1A2MAPK1EDNRBEDNRATDP1 | |
| SCHEMBL30713690 | 0.79 | CYP1A2 (0.49) | CYP1A2MAPK1EDNRBEDNRAPTPRC |
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-3411455-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |