Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8369201 | 0.96 | CA2 (0.57) | CES2CA2MAPK1CA1 | |
| SCHEMBL13679327 | 0.94 | CA2 (0.59) | CES2CA2MAPK1CA1 | |
| SCHEMBL28453988 | 0.92 | CA2 (0.52) | CA2MAPK1CA1 | |
| SCHEMBL9501494 | 0.91 | CES2 (0.59) | CES2CA2FFAR4FFAR1 | |
| SCHEMBL29186614 | 0.91 | CES2 (0.59) | CES2CA2FFAR4FFAR1 | |
| SCHEMBL29186622 | 0.91 | CES2 (0.59) | CES2CA2FFAR4FFAR1 | |
| SCHEMBL22016019 | 0.91 | CES2 (0.59) | CES2CA2FFAR4FFAR1 | |
| SCHEMBL9806356 | 0.91 | CES2 (0.59) | CES2CA2FFAR4FFAR1 | |
| SCHEMBL5027732 | 0.91 | CES2 (0.59) | CES2CA2FFAR4FFAR1 | |
| SCHEMBL22821699 | 0.91 | CES2 (0.59) | CES2CA2FFAR4FFAR1 |
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-0495547-B1 | Carbonylation of olefins | SHELL INT RESEARCH (NL) | 1996-04-24 | — | — | EP | disclosed |
| EP-0495547-A2 | Carbonylation of olefins | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-07-22 | — | — | EP | disclosed |