Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | PRKCB | P05771 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14702271 | 0.82 | HSP90AA1 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL14702069 | 0.80 | HSP90AA1 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL9002281 | 0.78 | TSHR (0.46) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL18593382 | 0.77 | TSHR (0.44) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL28842775 | 0.74 | KCNH2 (0.43) | HSP90AA1TRAP1HSP90AB1HSP90B1KCNH2 | |
| SCHEMBL14703028 | 0.73 | CYP2D6 (0.36) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL14705636 | 0.73 | CYP2D6 (0.36) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16077903 | 0.73 | CYP2D6 (0.36) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL14702083 | 0.73 | CYP2D6 (0.36) | CYP1A2CYP2C9TSHRCYP2C19HSP90AA1 | |
| SCHEMBL18593380 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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-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 139/4885CYP3A4 137/4885CYP2C9 131/4885 |
“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.