Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.42 |
| ▸ | ACACA | Q13085 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8559348 | 0.84 | PDE7A (0.45) | KMT2APDE7A | |
| SCHEMBL6291530 | 0.82 | ACACB (0.41) | ACACBACACAPDE7A | |
| SCHEMBL6290225 | 0.78 | ACACB (0.43) | ACACBACACA | |
| SCHEMBL8905942 | 0.77 | GAA (0.42) | KMT2APDE7AHTT | |
| SCHEMBL3893209 | 0.74 | CA1 (0.33) | HTT | |
| SCHEMBL8906325 | 0.74 | THRB (0.43) | KMT2APDE7AHTT | |
| SCHEMBL12496757 | 0.72 | PDE7A (0.45) | PDE7AHTT | |
| SCHEMBL2759734 | 0.71 | BACE1 (0.32) | KMT2ABACE1 | |
| SCHEMBL2759714 | 0.71 | GAA (0.39) | — | |
| SCHEMBL7769002 | 0.70 | KMT2A (0.42) | KMT2APDE7AATMHTT |
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 |