Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8065632 | 0.86 | SHBG (0.47) | SHBGPTGS1PTGS2ESR1ESR2 | |
| SCHEMBL8773463 | 0.84 | TRPA1 (0.46) | TRPA1SHBGALOX5PTGS1PTGS2 | |
| SCHEMBL2221421 | 0.84 | ESR1 (0.56) | SHBGPTGS1PTGS2ESR1ESR2 | |
| SCHEMBL4279450 | 0.84 | TRPA1 (0.44) | TRPA1ALOX5PTGS1PTGS2ESR1 | |
| SCHEMBL10239021 | 0.83 | CNR1 (0.47) | SHBGALOX5ESR1ESR2CYP1A2 | |
| SCHEMBL12226954 | 0.83 | TRPA1 (0.42) | TRPA1ALOX5PTGS1PTGS2ESR1 | |
| SCHEMBL8750442 | 0.83 | EGFR (0.41) | TRPA1SHBGALOX5PTGS1PTGS2 | |
| SCHEMBL8770880 | 0.82 | TRPA1 (0.48) | TRPA1SHBGCYP1A2CYP2A6KIF11 | |
| SCHEMBL27263781 | 0.81 | SHBG (0.42) | SHBGESR1ESR2LMNA | |
| SCHEMBL606251 | 0.80 | TRPA1 (0.46) | TRPA1CYP1A2CYP2A6KIF11LPL |
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 |
|---|---|---|---|---|---|---|---|
| EP-2562175-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| US-20120129875-A1 | SUBSTITUTED QUINAZOLINES AS FUNGICIDES | SYNGENTA CROP PROTECTION, LLC (US) | 2012-05-24 | — | — | US | disclosed |
| EP-2048126-A1 | Benzocycloheptane derivatives as selectively active oestrogens | Bayer Schering Pharma AG (DE) | 2009-04-15 | — | — | EP | 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 702/4885SHBG 4542/4885ALOX5 2250/4885 |
“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.