Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.52 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6118200 | 0.90 | ALDH1A1 (0.44) | CYP3A4DNMT1PABPC1CASP1CASP7 | |
| SCHEMBL14374951 | 0.79 | CYP3A4 (0.52) | CYP3A4DNMT1PABPC1CASP1CASP7 | |
| SCHEMBL472644 | 0.79 | ADORA2A (0.57) | CYP3A4PABPC1ADORA2AALDH1A1MCL1 | |
| SCHEMBL27436884 | 0.78 | CYP1B1 (0.40) | CYP3A4DNMT1PABPC1CASP1CASP7 | |
| Methane SCHEMBL4593466 | 0.77 | ADORA2A (0.55) | CYP3A4PABPC1ADORA2AALDH1A1MCL1 | |
| Ammonia Solution, Strong SCHEMBL27798139 | 0.77 | ADORA2A (0.55) | CYP3A4PABPC1ADORA2AALDH1A1MCL1 | |
| SCHEMBL28114488 | 0.77 | DNMT1 (0.58) | CYP3A4DNMT1PABPC1CASP1CASP7 | |
| Anthraquinone SCHEMBL8859829 | 0.77 | CYP3A4 (0.74) | CYP3A4DNMT1PABPC1CASP1CASP7 | |
| SCHEMBL26024975 | 0.76 | S100A4 (0.49) | CYP3A4DNMT1PABPC1CASP1CASP7 | |
| SCHEMBL1234900 | 0.76 | DNMT1 (0.61) | DNMT1ADORA2AALDH1A1CES1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011012212-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2011-02-03 | — | — | WO | disclosed |