Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 1.00 |
| ▸ | CYP2B6 | P20813 | 5/20 | 1.00 |
| ▸ | CYP2E1 | P05181 | 2/20 | 1.00 |
| ▸ | PDGFRB | P09619 | 7/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CTSC | P53634 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26104326 | 0.80 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL5499638 | 0.79 | CYP2A6 (0.66) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA | |
| SCHEMBL17027857 | 0.76 | CYP2A6 (0.61) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA | |
| SCHEMBL14438063 | 0.76 | CYP2A6 (0.61) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA | |
| SCHEMBL3831923 | 0.72 | CYP2A6 (0.57) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA | |
| SCHEMBL27989815 | 0.72 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL2125063 | 0.72 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA | |
| SCHEMBL3609180 | 0.72 | CYP2A6 (1.00) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA | |
| SCHEMBL21123910 | 0.72 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA | |
| SCHEMBL19933961 | 0.72 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA |
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 11 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-20100035917-A1 | PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-02-11 | — | — | 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 |
| US-20080176891-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2008-07-24 | — | — | US | disclosed |
| US-20080146606-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2008-06-19 | — | — | 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 (5 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-20080176891-A1 | NOVEL COMPOUNDS | NFKBIA, IKBKG, IKBKE | CYP2A6 3465/4885CYP2B6 3285/4885CYP2E1 2911/4885 |
| US-20080188527-A1 | Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer | CYP2A13, CYP2A6, CYP2B6 | CYP2A6 2/4885CYP2B6 3/4885CYP2E1 46/4885 |
| US-20100035917-A1 | PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS | PLK2, PDXK, MAP4K2 | CYP2A6 3881/4885CYP2B6 3148/4885CYP2E1 2633/4885 |
| US-20080146606-A1 | NOVEL COMPOUNDS | NFKBIA, IKBKG, IKBKE | CYP2A6 3465/4885CYP2B6 3285/4885CYP2E1 2911/4885 |
| US-20100298345-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | CYP2A13, CYP2A6, CYP2B6 | CYP2A6 2/4885CYP2B6 3/4885CYP2E1 46/4885 |
“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.