Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18593382 | 0.80 | TSHR (0.44) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL14702255 | 0.77 | CYP2C19 (0.42) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL8986512 | 0.76 | CA2 (0.61) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL35141 | 0.76 | CA2 (0.67) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL18612721 | 0.76 | HSP90AA1 (0.36) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL26259707 | 0.75 | ALDH1A1 (0.36) | ALDH1A1POLBGABRA1GABRB2GAA | |
| SCHEMBL9002281 | 0.75 | TSHR (0.46) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL28045541 | 0.74 | ALDH1A1 (0.44) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL18593377 | 0.74 | ALDH1A1 (0.45) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL10491834 | 0.74 | HSP90AA1 (0.43) | CYP1A2CYP2C9CYP2C19CYP3A4TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9856208-B2 | Method for producing an arene with an aromatic C—N bond ortho to an aromatic C—O bond | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2018-01-02 | — | — | US | disclosed |
| US-20170066711-A1 | METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-03-09 | — | — | US | disclosed |
| US-20170066711-A1 | METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-03-09 | — | — | 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-20170066711-A1 | METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND | AOX1, NOX4, NOXO1 | CYP1A2 139/4885CYP2C9 131/4885CYP2C19 253/4885 |
“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.