Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13777120 | 0.94 | SIGMAR1 (0.37) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL13777123 | 0.94 | SIGMAR1 (0.37) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL12014668 | 0.94 | SIGMAR1 (0.38) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL12928338 | 0.94 | SIGMAR1 (0.38) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL13333656 | 0.93 | SIGMAR1 (0.38) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL15762753 | 0.92 | SIGMAR1 (0.37) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL14516042 | 0.92 | SIGMAR1 (0.37) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL14489459 | 0.90 | ESR1 (0.36) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL13333604 | 0.90 | ESR1 (0.36) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL14608751 | 0.89 | SIGMAR1 (0.35) | SIGMAR1CYP1A1CYP1B1CYP1A2ESR1 |
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-4069663-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-12-13 | — | — | EP | disclosed |