Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.38 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4247488 | 1.00 | CYP3A4 (0.38) | CYP3A4GPR142CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4251971 | 0.87 | ACACB (0.42) | CYP3A4GPR142 | |
| SCHEMBL4251176 | 0.87 | ACACB (0.42) | CYP3A4GPR142 | |
| SCHEMBL4251973 | 0.87 | ACACB (0.42) | CYP3A4GPR142 | |
| SCHEMBL4399069 | 0.83 | GPR142 (0.40) | CYP3A4GPR142 | |
| SCHEMBL4255599 | 0.83 | GPR142 (0.40) | CYP3A4GPR142 | |
| SCHEMBL4244088 | 0.82 | GPR142 (0.38) | CYP3A4GPR142 | |
| SCHEMBL4244625 | 0.82 | GPR142 (0.38) | CYP3A4GPR142 | |
| SCHEMBL4251442 | 0.80 | CYP3A4 (0.38) | CYP3A4GPR142CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4251437 | 0.80 | CYP3A4 (0.38) | CYP3A4GPR142CYP1A2CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |