Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.50 |
| ▸ | CES1 | P23141 | 5/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzoyl Chloride SCHEMBL27691168 | 0.90 | CES2 (0.58) | CES2CES1NAAALMNAPTGS2 | |
| Benzoyl Chloride SCHEMBL29001581 | 0.88 | CES2 (0.59) | CES2CES1NAAALMNAALDH1A1 | |
| Benzoyl Chloride SCHEMBL27256213 | 0.86 | CES2 (0.58) | CES2CES1NAAALMNAALDH1A1 | |
| Benzoic Acid SCHEMBL28177809 | 0.84 | TSHR (0.58) | CES2CES1NAAATSHR | |
| Benzoic Acid SCHEMBL28555692 | 0.84 | TSHR (0.58) | CES2CES1NAAATSHR | |
| Benzil SCHEMBL28423462 | 0.84 | CES2 (0.63) | CES2CES1NAAALMNAPTGS2 | |
| Octadecylamine SCHEMBL10436462 | 0.84 | CES2 (0.51) | CES2CES1NAAAALDH1A1TSHR | |
| Benzoyl Chloride SCHEMBL29222781 | 0.83 | CES2 (0.51) | CES2CES1NAAALMNAPTGS2 | |
| Butyl Alcohol SCHEMBL25409281 | 0.81 | ALDH1A1 (0.43) | CES2CES1NAAALMNAPTGS2 | |
| Benzoyl Chloride SCHEMBL9802483 | 0.80 | ALDH1A1 (0.62) | CES2CES1NAAALMNAALDH1A1 |
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-5648445-A | STORAGE STABLE | BAYER CORPORATION (US) | 1997-07-15 | — | — | US | disclosed |