Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1955363 | 0.95 | ALDH1A1 (0.42) | CYP2A6TDP1UGT2B7ALOX12CYP1A2 | |
| SCHEMBL15780495 | 0.85 | CYP2A6 (0.41) | CYP2A6TDP1CYP1A2NQO2ADORA2A | |
| SCHEMBL14762165 | 0.83 | GAA (0.45) | CYP2A6TDP1ALOX12CYP1A2NQO2 | |
| SCHEMBL11460233 | 0.83 | CYP2A6 (0.39) | CYP2A6TDP1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL17356265 | 0.83 | CYP2A6 (0.34) | CYP2A6TDP1ALOX12CYP1A2NQO2 | |
| SCHEMBL13892881 | 0.83 | IDO1 (0.41) | CYP2A6TDP1ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL26747749 | 0.83 | CYP2A6 (0.34) | CYP2A6TDP1ALOX12CYP1A2NQO2 | |
| SCHEMBL3560219 | 0.81 | ALDH1A1 (0.36) | CYP2A6TDP1ALOX12CYP1A2NQO2 | |
| SCHEMBL15766081 | 0.81 | CYP1A2 (0.34) | CYP2A6TDP1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL3560216 | 0.81 | ALDH1A1 (0.36) | CYP2A6TDP1ALOX12CYP1A2NQO2 |
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-20210332011-A1 | TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-10-28 | — | — | 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-20210332011-A1 | TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS | PTGES, PTGES2, PTGIS | CYP2A6 140/4885TDP1 4596/4885UGT2B7 2440/4885 |
“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.