Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | ACACA | Q13085 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | SPR | P35270 | 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 | |
|---|---|---|---|---|
| SCHEMBL6291530 | 0.91 | ACACB (0.41) | ACACBACACA | |
| SCHEMBL12496990 | 0.84 | PDE7A (0.43) | CES1 | |
| SCHEMBL3267076 | 0.84 | ACACB (0.32) | ACACBACACA | |
| SCHEMBL3902215 | 0.83 | CES1 (0.33) | CES1 | |
| SCHEMBL2525634 | 0.81 | ACACB (0.37) | ACACBACACA | |
| SCHEMBL3267352 | 0.78 | ACACB (0.33) | ACACBACACA | |
| SCHEMBL6294797 | 0.78 | ACACB (0.42) | ACACBACACA | |
| SCHEMBL12496896 | 0.77 | PDE7A (0.40) | CES1 | |
| SCHEMBL2450304 | 0.76 | SLC6A4 (0.33) | ACACBACACA | |
| SCHEMBL730629 | 0.74 | ACACB (0.46) | ACACBACACACES1 |
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-6861391-B1 | Trifluoromethyl-substituted spirocyclic ketoenols | BAYER AKTIENGESELLSCHAFT (DE) | 2005-03-01 | — | — | US | disclosed |