Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17424211 | 0.89 | CYP2A6 (0.45) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3416947 | 0.89 | CYP2A6 (0.46) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17424348 | 0.89 | CYP2A6 (0.45) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17424205 | 0.88 | CYP2A6 (0.52) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3419995 | 0.85 | CYP2A6 (0.54) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27605095 | 0.79 | CYP2A6 (0.57) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3414768 | 0.79 | CYP2A6 (0.48) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17424206 | 0.79 | CYP2A6 (0.48) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23091230 | 0.78 | ALDH1A1 (0.60) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10146796 | 0.78 | ALDH1A1 (0.58) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593447-B1 | 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES | BAYER IP GMBH (DE) | 2016-08-17 | — | — | EP | disclosed |
| 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 |
| US-20120094837-A1 | Novel Heterocyclic Compounds as Pesticides | BAYER CROP SCIENCE AG (DE) | 2012-04-19 | — | — | US | disclosed |
| WO-2012007500-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-01-19 | — | — | WO | 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 983/4885CYP3A4 155/4885 |
“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.