Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL11474517 | 0.78 | CES2 (0.30) | CES2CES1 | |
| SCHEMBL953002 | 0.72 | CES1 (0.39) | CES2CES1HTT | |
| SCHEMBL11458657 | 0.70 | THRB (0.31) | — | |
| SCHEMBL8827416 | 0.67 | THRB (0.48) | CES2CES1 | |
| SCHEMBL23149877 | 0.65 | CES2 (0.42) | CES2CES1HTT | |
| SCHEMBL21467797 | 0.65 | CES2 (0.37) | CES2CES1HTT | |
| SCHEMBL11475855 | 0.65 | CES1 (0.59) | CES2CES1HTT | |
| SCHEMBL828495 | 0.64 | CES2 (0.35) | CES2CES1HTT | |
| SCHEMBL23682864 | 0.62 | TAS1R3 (0.36) | CES2CES1HTT | |
| SCHEMBL9147301 | 0.61 | CES2 (0.42) | CES2CES1HTT |
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-4225619-A | BACTERICIDES, FUNGICIDES | BOEHRINGER INGELHEIM GMBH (DE) | 1980-09-30 | — | — | US | disclosed |