Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | VDR | P11473 | 3/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL606251 | 0.93 | TRPA1 (0.46) | TRPA1CYP1A2CYP2A6BACE1KIF11 | |
| SCHEMBL606611 | 0.93 | TRPA1 (0.46) | TRPA1CYP1A2CYP2A6BACE1KIF11 | |
| SCHEMBL4763467 | 0.87 | VDR (0.44) | TRPA1CYP1A2CYP2A6VDRBACE1 | |
| SCHEMBL22490117 | 0.84 | EGFR (0.46) | TRPA1VDRBACE1SHBGALDH1A1 | |
| SCHEMBL8773463 | 0.84 | TRPA1 (0.46) | TRPA1CYP1A2CYP2A6VDRBACE1 | |
| SCHEMBL63126 | 0.82 | EGFR (0.47) | VDRSHBGMAPTPDE4APDE4B | |
| SCHEMBL29366879 | 0.82 | EGFR (0.47) | VDRSHBGMAPTPDE4APDE4B | |
| SCHEMBL8495480 | 0.82 | TRPA1 (0.61) | TRPA1CYP1A2BACE1ALDH1A1SMN1; SMN2 | |
| SCHEMBL13953779 | 0.82 | CNR1 (0.50) | VDRBACE1LPLLIPGMAPT | |
| SCHEMBL8773231 | 0.82 | TRPA1 (0.45) | TRPA1CYP1A2CYP2A6VDRKIF11 |
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-20120129875-A1 | SUBSTITUTED QUINAZOLINES AS FUNGICIDES | SYNGENTA CROP PROTECTION, LLC (US) | 2012-05-24 | — | — | US | disclosed |
| US-7262315-B2 | For silylation, hydrosilylation, amination, aldol condensations, and cyclization | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2007-08-28 | — | — | 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-20120129875-A1 | SUBSTITUTED QUINAZOLINES AS FUNGICIDES | NAT1, NQO2, NOX1 | TRPA1 702/4885CYP1A2 18/4885CYP2A6 268/4885 |
“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.