Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 15/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27938950 | 0.92 | ACACB (0.58) | ACACBLTA4HAPPMCHR1NQO1 | |
| SCHEMBL9496359 | 0.87 | ACACB (0.58) | ACACBMCHR1NQO1 | |
| SCHEMBL9495556 | 0.83 | ACACB (0.54) | ACACBMCHR1NQO1 | |
| SCHEMBL9495546 | 0.81 | ACACB (0.53) | ACACBMCHR1NQO1 | |
| SCHEMBL9496908 | 0.81 | ACACB (0.63) | ACACBMCHR1NQO1 | |
| SCHEMBL9495937 | 0.80 | ACACB (0.61) | ACACBMCHR1NQO1 | |
| SCHEMBL9855370 | 0.80 | NQO1 (0.54) | ACACBLTA4HNQO1 | |
| SCHEMBL9495985 | 0.79 | ACACB (0.67) | ACACBMCHR1 | |
| SCHEMBL1390579 | 0.79 | ACACB (0.54) | ACACBMCHR1NQO1 | |
| SCHEMBL9499858 | 0.78 | ACACB (0.59) | ACACBMCHR1 |
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-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | WO | disclosed |