Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 5/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | LOX | P28300 | 13/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL8191376 | 0.74 | — | — | |
| SCHEMBL1680891 | 0.73 | ALDH1A1 (0.41) | CYP2E1CYP2A6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL8125451 | 0.71 | CYP2E1 (0.38) | CYP2E1CYP2A6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL7357714 | 0.70 | — | — | |
| SCHEMBL1680558 | 0.68 | LOX (0.36) | CYP2E1CYP2A6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL1680452 | 0.66 | LOX (0.37) | CYP2E1CYP2A6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL29574366 | 0.64 | LTA4H (0.68) | CYP2E1CYP2A6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL12657211 | 0.62 | — | — | |
| Iodide SCHEMBL29574376 | 0.62 | LTA4H (0.65) | CYP2E1CYP2A6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL29953913 | 0.62 | TSHR (0.48) | CYP2E1CYP2A6CYP3A4CYP2C9CYP2B6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2771332-B1 | Thiophen and thiazol sulfonamid derivatives as HIV protease inhibitors for the treatment of AIDS | MERCK CANADA INC (CA) | 2016-06-29 | — | — | EP | disclosed |
| EP-2771332-A1 | HIV PROTEASE INHIBITORS | Merck Canada Inc. (CA) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013059928-A1 | HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2013-05-02 | — | — | WO | disclosed |