Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.41 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.41 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.41 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 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 | |
|---|---|---|---|---|
| SCHEMBL235612 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL30374532 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL14536306 | 0.83 | CYP2A6 (0.50) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL15641765 | 0.78 | CYP1A1 (0.50) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| Acetonitrile SCHEMBL27797402 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL5069234 | 0.75 | CYP2A6 (0.50) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL228003 | 0.74 | CYP1A1 (0.64) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL1663786 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL4732067 | 0.72 | CYP1A2 (0.53) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 | |
| Water SCHEMBL28227114 | 0.72 | CYP1A1 (0.61) | ALDH1A1CYP2A6CYP1A1CYP1B1CYP1A2 |
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-20130047849-A1 | Organic Porous Materials Comprising Shape-Persistent Three-Dimensional Molecular Cage Building Blocks | THE REGENTS OF THE UNIVERSITY OF COLORADO | 2013-02-28 | — | — | 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-20130047849-A1 | Organic Porous Materials Comprising Shape-Persistent Three-Dimensional Molecular Cage Building Blocks | CAPG, NCBP1, ORC3 | ALDH1A1 3790/4885CYP2A6 4206/4885CYP1A1 4099/4885 |
“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.