Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA1 | Q15788 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | CFD | P00746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17643178 | 0.77 | MAPT (0.54) | MAPTKDM4EF2CFDCYP1A2 | |
| SCHEMBL1522777 | 0.75 | PARP1 (0.53) | F2CFDHTTAURKAPARP1 | |
| SCHEMBL2098564 | 0.73 | MCL1 (0.67) | MAPTKDM4EF2CFDSMN1; SMN2 | |
| SCHEMBL21658311 | 0.71 | F2 (0.55) | MAPTF2CFDCYP1A2SMN1; SMN2 | |
| SCHEMBL29832015 | 0.70 | KIF11 (0.55) | MAPTKDM4ECYP1A2CYP3A4SMN1; SMN2 | |
| SCHEMBL458963 | 0.70 | KIF11 (0.55) | MAPTKDM4ECYP1A2CYP3A4SMN1; SMN2 | |
| SCHEMBL22650664 | 0.70 | MAPT (0.47) | NCOA1MAPTKDM4ECYP1A2CYP1B1 | |
| SCHEMBL1416592 | 0.69 | MAPT (0.50) | NCOA1MAPTKDM4ECYP1A2CYP1B1 | |
| SCHEMBL660137 | 0.69 | MAPT (0.50) | NCOA1MAPTKDM4ECYP1A2CYP1B1 | |
| SCHEMBL26675637 | 0.69 | PARP1 (0.51) | MAPTKDM4ECYP3A4SMN1; SMN2CYP19A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3197982-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-05-06 | — | — | EP | disclosed |
| US-10544360-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2020-01-28 | — | — | US | disclosed |
| WO-2016045765-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2016-03-31 | — | — | WO | disclosed |