Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL45430 | 0.82 | CES2 (0.53) | CES2CES1ALDH1A1CTSLCTSS | |
| SCHEMBL29489580 | 0.82 | CES2 (0.53) | CES2CES1ALDH1A1CTSLCTSS | |
| SCHEMBL3975406 | 0.78 | CES2 (0.50) | CES2CES1ALDH1A1CTSLCTSS | |
| SCHEMBL11355080 | 0.78 | CES2 (0.50) | CES2CES1ALDH1A1CTSLCTSS | |
| Ammonia Solution, Strong SCHEMBL3047305 | 0.78 | CES2 (0.50) | CES2CES1ALDH1A1CTSLCTSS | |
| SCHEMBL285853 | 0.77 | CES2 (0.36) | CES2CES1ALDH1A1 | |
| SCHEMBL29620248 | 0.77 | CES2 (0.36) | CES2CES1ALDH1A1 | |
| SCHEMBL22418079 | 0.75 | CES2 (0.31) | CES2CES1 | |
| Hydrazine SCHEMBL3793747 | 0.74 | CES2 (0.48) | CES2CES1ALDH1A1 | |
| SCHEMBL16960497 | 0.73 | CES2 (0.32) | CES2CES1ALDH1A1 |
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-4987209-A | Diethynyl monomers and polymers thereof | THE PRESIDENT AND FELLOWS OF HARVARD (US) | 1991-01-22 | — | — | US | disclosed |