Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17424206 | 0.88 | CYP2A6 (0.48) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL17424348 | 0.86 | CYP2A6 (0.45) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL17424205 | 0.85 | CYP2A6 (0.52) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL3419995 | 0.82 | CYP2A6 (0.54) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL3414735 | 0.79 | CYP2A6 (0.51) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL10146243 | 0.78 | ALDH1A1 (0.55) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL17424211 | 0.77 | CYP2A6 (0.45) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL29776061 | 0.75 | HTT (0.50) | KDM4EALDH1A1LMNA | |
| SCHEMBL27605095 | 0.74 | CYP2A6 (0.57) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL364612 | 0.73 | ALDH1A1 (0.62) | CYP2A6CYP2C19CYP2D6CYP2C9CYP3A4 |
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-9233951-B2 | Heterocyclic compounds as pesticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-01-12 | — | — | US | disclosed |
| US-9233951-B2 | Heterocyclic compounds as pesticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-01-12 | — | — | US | disclosed |
| US-20120094837-A1 | Novel Heterocyclic Compounds as Pesticides | BAYER CROP SCIENCE AG (DE) | 2012-04-19 | — | — | 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-20120094837-A1 | Novel Heterocyclic Compounds as Pesticides | DDT, PTMS, ACHE | CYP2A6 677/4885CYP2C19 983/4885CYP2D6 928/4885 |
“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.