Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14341529 | 0.78 | TSHR (0.33) | ACACBACACA | |
| SCHEMBL3676347 | 0.78 | CYP1A2 (0.38) | — | |
| SCHEMBL1819548 | 0.74 | ACACB (0.34) | PTGS1KCNH2ACACBACACA | |
| SCHEMBL4076101 | 0.72 | — | — | |
| SCHEMBL8042336 | 0.72 | CYP1A2 (0.35) | PTGS1 | |
| SCHEMBL28494963 | 0.71 | ACACB (0.36) | PTGS1KCNH2ACACBACACA | |
| SCHEMBL28621075 | 0.69 | PRSS1 (0.31) | — | |
| SCHEMBL2171251 | 0.69 | — | — | |
| SCHEMBL1691615 | 0.67 | — | — | |
| SCHEMBL38932 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014028026-A9 | BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS | CELEXION, LLC (US) | 2015-03-26 | — | — | WO | disclosed |