Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | KIF11 | P52732 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22903617 | 0.83 | MAOA (0.48) | CYP2A6ALDH1A1KIF11TSHRCYP19A1 | |
| SCHEMBL19232122 | 0.82 | KIF11 (0.52) | CYP2A6ALDH1A1KIF11TSHRCYP19A1 | |
| SCHEMBL18745058 | 0.81 | KIF11 (0.43) | CYP2A6ALDH1A1KIF11TSHRCYP19A1 | |
| SCHEMBL17943228 | 0.80 | CYP2A6 (0.67) | CYP2A6ALDH1A1KIF11TSHRBCHE | |
| SCHEMBL452773 | 0.79 | CYP2A6 (0.73) | CYP2A6ALDH1A1KIF11TSHRBCHE | |
| SCHEMBL18879528 | 0.79 | CNR1 (0.49) | CYP2A6ALDH1A1KIF11TSHRCYP19A1 | |
| P-Xylene SCHEMBL3926102 | 0.78 | CYP2A6 (1.00) | CYP2A6ALDH1A1KIF11TSHRBCHE | |
| SCHEMBL46818 | 0.78 | — | — | |
| SCHEMBL3486273 | 0.78 | TSHR (0.43) | CYP2A6ALDH1A1KIF11TSHRACHE | |
| SCHEMBL30522137 | 0.78 | CYP2A6 (0.64) | CYP2A6ALDH1A1KIF11TSHRBCHE |
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-20220416164-A1 | NITROGEN-CONTAINING COMPOUNDS, ELECTRONIC ELEMENTS AND ELECTRONIC DEVICES | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) | 2022-12-29 | — | — | 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-20220416164-A1 | NITROGEN-CONTAINING COMPOUNDS, ELECTRONIC ELEMENTS AND ELECTRONIC DEVICES | NPPA, NES, INA | CYP2A6 2392/4885ALDH1A1 1874/4885KIF11 3601/4885 |
“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.