Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | FABP3 | P05413 | 2/20 | 0.34 |
| ▸ | FABP4 | P15090 | 2/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL25829298 | 0.90 | ALDH1A1 (0.40) | CYP2A6CYP1B1CYP1A2ESR1ESR2 | |
| SCHEMBL21480001 | 0.87 | ALDH1A1 (0.47) | CYP2A6CYP1B1CYP1A1CYP1A2ESR1 | |
| SCHEMBL25829772 | 0.85 | ESR1 (0.38) | CYP2A6CYP1B1CYP1A1CYP1A2ESR1 | |
| SCHEMBL23823494 | 0.83 | ESR1 (0.46) | CYP2A6CYP1A2FABP3FABP4FABP5 | |
| SCHEMBL23823372 | 0.82 | CYP2A6 (0.53) | CYP2A6CYP1B1CYP1A1CYP1A2ESR1 | |
| SCHEMBL23823625 | 0.79 | CYP1A2 (0.44) | CYP2A6CYP1B1CYP1A1CYP1A2FABP3 | |
| SCHEMBL25815494 | 0.79 | CYP1A2 (0.44) | CYP2A6CYP1A2FABP3FABP4FABP5 | |
| SCHEMBL26566443 | 0.79 | ALOX5 (0.41) | CYP2A6CYP1B1CYP1A2ALDH1A1HIF1A | |
| SCHEMBL25815496 | 0.78 | ESR1 (0.46) | CYP1A2FABP3FABP4FABP5ESR1 | |
| SCHEMBL23823623 | 0.77 | CA12 (0.41) | CYP2A6CYP1B1CYP1A1CYP1A2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230225195-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) | 2023-07-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230225195-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | H1-0, H1-2, H1-4 | CYP2A6 2041/4885CYP1B1 284/4885CYP1A1 194/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.