Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28233058 | 0.88 | IKBKB (0.46) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL15077937 | 0.87 | CYP1A2 (0.39) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL28112435 | 0.87 | CYP1A2 (0.46) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL16749875 | 0.86 | CYP1A2 (0.42) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL23312096 | 0.86 | ESR1 (0.45) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL28112982 | 0.84 | ESR1 (0.46) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL28112436 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL17711200 | 0.83 | PDE9A (0.50) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL26750845 | 0.82 | GSTP1 (0.42) | CYP1A2CYP2A6ESR1ESR2GSTP1 | |
| SCHEMBL15854434 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP2A6ESR1ESR2GSTP1 |
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-8952207-B2 | Copper-catalyzed C—H bond arylation | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2015-02-10 | — | — | US | disclosed |
| US-20090076266-A1 | COPPER-CATALYZED C-H BOND ARYLATION | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2009-03-19 | — | — | 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-20090076266-A1 | COPPER-CATALYZED C-H BOND ARYLATION | AOC2, AOC3, DBH | CYP1A2 61/4885CYP2A6 45/4885ESR1 792/4885 |
“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.