Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GBA1 | P04062 | 4/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.36 |
| ▸ | GUSB | P08236 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | GLB1 | P16278 | 1/20 | 0.33 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3384746 | 1.00 | EPHX1 (0.48) | EPHX1ALDH1A1GBA1SPHK1SPHK2 | |
| SCHEMBL27595229 | 1.00 | EPHX1 (0.48) | EPHX1ALDH1A1GBA1SPHK1SPHK2 | |
| SCHEMBL10956633 | 1.00 | EPHX1 (0.48) | EPHX1ALDH1A1GBA1SPHK1SPHK2 | |
| SCHEMBL9662231 | 1.00 | EPHX1 (0.48) | EPHX1ALDH1A1GBA1SPHK1SPHK2 | |
| SCHEMBL1075621 | 0.98 | EPHX1 (0.45) | EPHX1ALDH1A1GBA1SPHK1SPHK2 | |
| SCHEMBL3123371 | 0.92 | — | — | |
| SCHEMBL6908298 | 0.89 | ARG1 (0.33) | EPHX1ALDH1A1 | |
| SCHEMBL6899828 | 0.89 | ARG1 (0.33) | EPHX1ALDH1A1 | |
| SCHEMBL9864715 | 0.89 | ARG1 (0.33) | EPHX1ALDH1A1 | |
| Acetamide SCHEMBL8209952 | 0.88 | EPHX1 (0.40) | EPHX1ALDH1A1GBA1SPHK1SPHK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009129097-A1 | NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE | ANGUS CHEMICAL COMPANY (US) | 2009-10-22 | — | — | WO | disclosed |