Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 1.00 |
| ▸ | CHRNB2 | P17787 | 5/20 | 1.00 |
| ▸ | CHRNA4 | P43681 | 5/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 1.00 |
| ▸ | CYP2B6 | P20813 | 3/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.61 |
| ▸ | GRM5 | P41594 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3023293 | 0.84 | CHRNB2 (1.00) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL7052162 | 0.81 | CYP2A6 (0.68) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL29712676 | 0.80 | CHRNB2 (0.66) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL3607722 | 0.78 | CHRNB2 (0.64) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL4055754 | 0.78 | CHRNB2 (0.64) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL14085289 | 0.78 | CHRNB2 (0.69) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL3796332 | 0.77 | CYP2A6 (0.67) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL3603698 | 0.77 | CYP2A6 (1.00) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL30938347 | 0.77 | CYP2A6 (0.67) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL31044520 | 0.77 | CYP2A6 (0.67) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 |
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 8 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-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-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 |
| 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 |
| 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 |
| WO-2005066162-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2005-07-21 | — | — | 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 (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 2/4885CHRNB2 22/4885CHRNA4 15/4885 |
| US-20100298345-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | CYP2A13, CYP2A6, CYP2B6 | CYP2A6 2/4885CHRNB2 22/4885CHRNA4 15/4885 |
“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.