Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 5/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | STK17B | O94768 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18516202 | 1.00 | MAPK1 (0.44) | MAPK1KDM4EATMALDH1A1AHR | |
| SCHEMBL17283751 | 0.79 | MAPK1 (0.58) | MAPK1KDM4EATMALDH1A1CSNK2A2 | |
| SCHEMBL29396027 | 0.79 | MAPK1 (0.58) | MAPK1KDM4EATMALDH1A1CSNK2A2 | |
| SCHEMBL380544 | 0.77 | — | — | |
| SCHEMBL18489010 | 0.77 | AHR (0.44) | ALDH1A1AHRCSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL28625319 | 0.76 | MAPK1 (0.59) | MAPK1KDM4EATMALDH1A1AHR | |
| SCHEMBL30890020 | 0.76 | MAPK1 (0.59) | MAPK1KDM4EATMALDH1A1AHR | |
| SCHEMBL4592669 | 0.76 | AHR (0.56) | MAPK1KDM4EATMALDH1A1AHR | |
| SCHEMBL15030662 | 0.75 | AHR (0.34) | ALDH1A1AHRPGR | |
| SCHEMBL18967548 | 0.75 | MAPK1 (0.44) | MAPK1KDM4EATMALDH1A1AHR |
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-3227269-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |