Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4909130 | 0.71 | — | — | |
| SCHEMBL1521856 | 0.70 | CYP2A6 (0.40) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL2342778 | 0.70 | PDPK1 (0.47) | CYP2A6ALDH1A1NPC1RAB9A | |
| SCHEMBL722595 | 0.68 | CYP2A6 (0.56) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL661463 | 0.68 | CYP3A4 (0.46) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL14886177 | 0.67 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL14635181 | 0.67 | NAMPT (0.33) | NAMPT | |
| SCHEMBL3137125 | 0.67 | RECQL (0.41) | CYP2D6ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL3145458 | 0.67 | CYP3A4 (0.50) | CYP2A6CYP3A4CYP2B6CYP2C9CYP2E1 | |
| SCHEMBL9773332 | 0.66 | CYP2A6 (0.41) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 |
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-20120196905-A1 | SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2012-08-02 | — | — | US | claimed |
| WO-2012019093-A1 | SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2012-02-09 | — | — | WO | claimed |
| 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 | claimed |
| 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 | claimed |
| US-8906943-B2 | Synthetic compounds and methods to decrease nicotine self-administration | HUMAN BIOMOLECULAR RESEARCH INSTITUTE | 2014-12-09 | — | — | US | disclosed |
| 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-20120196905-A1 | SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2012-08-02 | — | — | US | disclosed |
| WO-2012019093-A1 | SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2012-02-09 | — | — | WO | 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 |
| 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 (3 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 2/4885CYP3A4 45/4885CYP2C19 41/4885 |
| US-20100298345-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | CYP2A13, CYP2A6, CYP2B6 | CYP2A6 2/4885CYP3A4 45/4885CYP2C19 41/4885 |
| US-20120196905-A1 | SYNTHETIC COMPOUNDS AND METHODS TO DECREASE NICOTINE SELF-ADMINISTRATION | SLC6A3, NNT, SLC6A2 | CYP2A6 1009/4885CYP3A4 2144/4885CYP2C19 3571/4885 |
“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.