Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.44 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.44 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27418357 | 0.94 | ESR1 (0.51) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL27419295 | 0.94 | ESR1 (0.48) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL27419909 | 0.94 | ESR1 (0.50) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL27418231 | 0.93 | ESR1 (0.50) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL27418351 | 0.93 | ESR1 (0.55) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL24169641 | 0.93 | ESR1 (0.49) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL21158041 | 0.93 | ESR1 (0.49) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL27422161 | 0.93 | ESR1 (0.49) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL27420005 | 0.92 | ESR1 (0.48) | ESR1ESR2PTGER4HDAC1HDAC8 | |
| SCHEMBL27419052 | 0.92 | ESR1 (0.44) | ESR1ESR2PTGER4HTTMAPK1 |
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-2024133211-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2024-06-27 | — | — | WO | disclosed |