Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 13/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.62 |
| ▸ | CYP2E1 | P05181 | 11/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.62 |
| ▸ | CYP2B6 | P20813 | 10/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.62 |
| ▸ | CYP2C8 | P10632 | 7/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | AOC1 | P19801 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23781561 | 0.98 | CYP2A6 (0.65) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL15677629 | 0.81 | CYP2A6 (0.46) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL23781592 | 0.78 | CYP2A6 (0.96) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL10202987 | 0.77 | CYP2A6 (0.41) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL23789416 | 0.75 | CYP2A6 (0.97) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL23781569 | 0.75 | CYP2A6 (0.97) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| Hydrochloric Acid SCHEMBL23781582 | 0.74 | CYP2A6 (1.00) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL23781563 | 0.74 | CYP2A6 (0.97) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL23789411 | 0.73 | CYP2A6 (0.97) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL23781583 | 0.73 | CYP2A6 (0.97) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210276987-A1 | PHARMACEUTICAL AGENTS FOR USE IN SMOKING AND TOBACCO CESSATION | WASHINGTON STATE UNIVERSITY (US) | 2021-09-09 | — | — | 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 (1 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-20210276987-A1 | PHARMACEUTICAL AGENTS FOR USE IN SMOKING AND TOBACCO CESSATION | CYP2A6, CYP2B6, CYP2D6 | CYP2A6 1/4885CYP2C19 51/4885CYP2E1 19/4885 |
“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.