Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7067027 | 0.87 | — | — | |
| SCHEMBL10882306 | 0.80 | CES1 (0.37) | CES1FDPSCES2ALDH1A1ESR1 | |
| SCHEMBL1225614 | 0.80 | AKR1B1 (0.39) | ALDH1A1ESR1AKR1B1 | |
| SCHEMBL6048466 | 0.77 | CES1 (0.39) | CES1FDPSCES2ALDH1A1GAA | |
| SCHEMBL108941 | 0.77 | CES1 (0.39) | CES1FDPSCES2ALDH1A1GAA | |
| SCHEMBL7068883 | 0.76 | — | — | |
| SCHEMBL1784812 | 0.75 | CES1 (0.37) | CES1FDPSCES2ALDH1A1 | |
| SCHEMBL27660585 | 0.75 | CES2 (0.48) | CES1FDPSCES2 | |
| SCHEMBL8600530 | 0.73 | AKR1B1 (0.37) | CES1ALDH1A1ESR1AKR1B1 | |
| SCHEMBL5075420 | 0.73 | AKR1B1 (0.42) | CES2ALDH1A1ESR1AKR1B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017679-B1 | PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES | UNIROYAL CHEM CO INC (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-1017679-A1 | PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999016754-A1 | PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1999-04-08 | — | — | WO | disclosed |
| US-5849929-A | Process for the preparation of imidazoline nitroxyl | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1998-12-15 | — | — | US | disclosed |