Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL12711618 | 0.85 | CYP2A6 (0.36) | CYP2A6ESR1ESR2 | |
| SCHEMBL13723554 | 0.84 | CLK1 (0.33) | — | |
| SCHEMBL12711322 | 0.82 | CYP2A6 (0.40) | CYP2A6ESR1ESR2CHRNA7HTR3A | |
| SCHEMBL12711595 | 0.81 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL12711303 | 0.80 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL12711311 | 0.77 | — | — | |
| SCHEMBL12711290 | 0.76 | DRD2 (0.30) | — | |
| SCHEMBL12430648 | 0.75 | CYP2A6 (0.57) | CYP2A6ESR1ESR2CHRNA7HTR3A | |
| SCHEMBL12711372 | 0.74 | DRD2 (0.30) | — | |
| SCHEMBL12711409 | 0.74 | HSD17B1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110087034-A1 | Organic Semiconductor Material | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2011-04-14 | — | — | US | disclosed |
| US-20110087034-A1 | Organic Semiconductor Material | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2011-04-14 | — | — | 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-20110087034-A1 | Organic Semiconductor Material | OR10J3, TST, OR51E2 | CYP2A6 1465/4885ESR1 1107/4885ESR2 721/4885 |
“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.