Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 16/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.59 |
| ▸ | CYP2E1 | P05181 | 9/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 9/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3617490 | 0.80 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3604825 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1791769 | 0.75 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3617944 | 0.72 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3611340 | 0.72 | CYP3A4 (1.00) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3618433 | 0.72 | CYP2A6 (0.72) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13073854 | 0.72 | CYP2A6 (0.65) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13073896 | 0.71 | CYP2A6 (0.52) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13035223 | 0.71 | CYP2A6 (0.72) | CYP2A6CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14103599 | 0.70 | CYP2A6 (0.54) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8609708-B2 | Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2013-12-17 | — | — | US | disclosed |
| US-20100298345-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2010-11-25 | — | — | US | disclosed |
| US-20080188527-A1 | Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer | HUMAN BIOMOLECULAR RESEARCH INSTITUTE | 2008-08-07 | — | — | 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-20080188527-A1 | Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer | CYP2A13, CYP2A6, CYP2B6 | CYP2A6 2/4885CYP2C19 41/4885CYP3A4 45/4885 |
| US-20100298345-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | CYP2A13, CYP2A6, CYP2B6 | CYP2A6 2/4885CYP2C19 41/4885CYP3A4 45/4885 |
“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.