Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5921934 | 0.84 | TSHR (0.56) | CYP1A2CYP2A6TSHRCYP1A1CYP1B1 | |
| SCHEMBL27457373 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6TSHRCYP1A1CYP1B1 | |
| SCHEMBL28291332 | 0.81 | TSHR (0.52) | CYP1A2CYP2A6TSHRCYP1A1CYP1B1 | |
| SCHEMBL14134373 | 0.81 | KIF11 (0.46) | CYP1A2CYP2A6TSHRCYP1A1CYP1B1 | |
| SCHEMBL14134243 | 0.79 | ACACA (0.49) | CYP1A2CYP2A6TSHRCYP1A1CYP1B1 | |
| SCHEMBL14134368 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2A6TSHRL3MBTL1HSD17B10 | |
| SCHEMBL26750929 | 0.79 | CA12 (0.51) | CYP1A2NR4A2MAPK14GPR84PTGS2 | |
| SCHEMBL9470179 | 0.78 | NR4A2 (0.43) | CYP1A2CYP2A6TSHRNR4A2CYP1A1 | |
| SCHEMBL20407098 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2A6TSHRCYP1B1L3MBTL1 | |
| SCHEMBL26750922 | 0.77 | CA12 (0.50) | CYP1A2NR4A2MAPK14GPR84PTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150166500-A1 | Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2015-06-18 | — | — | US | disclosed |
| US-20150166500-A1 | Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2015-06-18 | — | — | US | disclosed |
| US-20120302752-A1 | Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2012-11-29 | — | — | US | disclosed |
| US-20120302752-A1 | Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2012-11-29 | — | — | 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 (2 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-20150166500-A1 | Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters | DDC, AOC2, AOC3 | CYP1A2 68/4885CYP2A6 208/4885TSHR 2895/4885 |
| US-20120302752-A1 | Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters | DDC, AOC2, AOC3 | CYP1A2 68/4885CYP2A6 208/4885TSHR 2895/4885 |
“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.