Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15498326 | 1.00 | NR1I2 (0.56) | NR1I2CYP2E1KDM4EHTTATM | |
| SCHEMBL15512080 | 1.00 | NR1I2 (0.56) | NR1I2CYP2E1KDM4EHTTATM | |
| SCHEMBL132636 | 0.97 | NR1I2 (0.54) | NR1I2CYP2E1 | |
| SCHEMBL15960459 | 0.97 | NR1I2 (0.54) | NR1I2CYP2E1 | |
| SCHEMBL135973 | 0.97 | NR1I2 (0.54) | NR1I2CYP2E1 | |
| SCHEMBL17861247 | 0.97 | NR1I2 (0.54) | NR1I2CYP2E1 | |
| SCHEMBL101680 | 0.97 | NR1I2 (0.54) | NR1I2CYP2E1 | |
| SCHEMBL135727 | 0.97 | NR1I2 (0.54) | NR1I2CYP2E1 | |
| SCHEMBL12949699 | 0.97 | NR1I2 (0.58) | NR1I2CYP2E1KDM4EHTTATM | |
| SCHEMBL16229283 | 0.96 | NR1I2 (0.57) | NR1I2CYP2E1ALDH1A1 |
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-9296719-B2 | Compositions and methods for the treatment of norovirus infection | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2016-03-29 | — | — | US | disclosed |