Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14736145 | 1.00 | CYP2A6 (0.40) | CYP2A6APPERN1BACE1CA12 | |
| SCHEMBL2584464 | 1.00 | CYP2A6 (0.40) | CYP2A6APPERN1BACE1CA12 | |
| SCHEMBL31573606 | 0.82 | APP (0.37) | APP | |
| SCHEMBL31573688 | 0.82 | APP (0.37) | APP | |
| SCHEMBL31573785 | 0.82 | APP (0.37) | APP | |
| SCHEMBL2549468 | 0.81 | ERN1 (0.52) | CYP2A6ERN1ALDH1A1 | |
| SCHEMBL2564460 | 0.80 | ERN1 (0.40) | CYP2A6ERN1CA12CA9ALOX15 | |
| SCHEMBL2564464 | 0.80 | ERN1 (0.40) | CYP2A6ERN1CA12CA9ALOX15 | |
| SCHEMBL29645435 | 0.73 | — | — | |
| SCHEMBL5469035 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130059996-A1 | Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings | THE JOHNS HOPKINS UNIVERSITY | 2013-03-07 | — | — | US | disclosed |
| WO-2011127383-A2 | BORON-CONTAINING PI-ELECTRON MATERIALS INCORPORATING FORMALLY AROMATIC AND NEUTRAL BOREPIN RINGS | THE JOHNS HOPKINS UNIVERSITY (US) | 2011-10-13 | — | — | 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 (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-20130059996-A1 | Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings | PNN, CIAPIN1, VNN1 | CYP2A6 1437/4885APP 935/4885ERN1 1084/4885 |
“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.