Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GPR142 | Q7Z601 | 7/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4248614 | 1.00 | CYP3A4 (0.37) | CYP3A4TDP1GPR142RAB9ASLC15A1 | |
| SCHEMBL4247931 | 0.85 | ACACB (0.41) | CYP3A4GPR142 | |
| SCHEMBL4247930 | 0.85 | ACACB (0.41) | CYP3A4GPR142 | |
| SCHEMBL4252268 | 0.81 | CYP3A4 (0.36) | CYP3A4 | |
| SCHEMBL893582 | 0.80 | SLC6A3 (0.37) | CYP3A4TDP1GPR142PARP15PARP10 | |
| SCHEMBL4255599 | 0.80 | GPR142 (0.40) | CYP3A4TDP1GPR142CTSC | |
| SCHEMBL4399069 | 0.80 | GPR142 (0.40) | CYP3A4TDP1GPR142CTSC | |
| SCHEMBL4246828 | 0.77 | CYP3A4 (0.52) | CYP3A4TDP1 | |
| SCHEMBL893583 | 0.75 | GPR142 (0.43) | CYP3A4GPR142 | |
| SCHEMBL951450 | 0.71 | CYP1A2 (0.45) | CYP3A4TDP1GPR142RAB9APARP15 |
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 |