Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL2112340 | 0.76 | RAB9A (0.74) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL370074 | 0.75 | CYP2E1 (0.55) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30516614 | 0.75 | CYP2E1 (0.55) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL23930645 | 0.74 | CYP2A6 (0.54) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL28764408 | 0.72 | KMO (0.56) | CYP2A6KMOCYP19A1MKNK1MKNK2 | |
| SCHEMBL2309187 | 0.72 | CYP2A6 (0.59) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL3601792 | 0.72 | ALK (0.56) | CYP2A6CYP2C9CYP2B6CYP2C19KMO | |
| SCHEMBL370075 | 0.71 | CYP2A6 (0.51) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL22195036 | 0.71 | CYP2C9 (0.67) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL4322525 | 0.71 | RAB9A (0.70) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
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 4 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 |
| 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 2/4885CYP2E1 46/4885CYP2C9 44/4885 |
| US-20100298345-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | CYP2A13, CYP2A6, CYP2B6 | CYP2A6 2/4885CYP2E1 46/4885CYP2C9 44/4885 |
“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.