Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21578105 | 0.98 | CYP2A6 (0.64) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL21578019 | 0.90 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL12999315 | 0.89 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL23629596 | 0.83 | KDM4E (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL3364766 | 0.83 | CYP19A1 (0.42) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL11965538 | 0.83 | CYP2A6 (0.78) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL2652533 | 0.80 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30473120 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL29419014 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL120088 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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 | CYP2A6 45/4885CYP3A4 234/4885ALDH1A1 44/4885 |
“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.