Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.79 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | DGKA | P23743 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 2/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL871384 | 1.00 | ALDH1A1 (0.79) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL7060626 | 1.00 | ALDH1A1 (0.79) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL242588 | 0.95 | ALDH1A1 (0.68) | ALDH1A1CES1CES2DGKATP53 | |
| Trimethylammonium SCHEMBL3410273 | 0.93 | ALDH1A1 (0.68) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL4631123 | 0.92 | ALDH1A1 (0.75) | ALDH1A1CES1CES2DGKALMNA | |
| SCHEMBL27467140 | 0.92 | ALDH1A1 (0.65) | ALDH1A1CES1CES2DGKATP53 | |
| Fluoride SCHEMBL28138819 | 0.92 | ALDH1A1 (0.65) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL195017 | 0.92 | ALDH1A1 (0.83) | ALDH1A1CES1CES2DGKALMNA | |
| SCHEMBL1425972 | 0.90 | ALDH1A1 (0.71) | ALDH1A1CES1CES2DGKALMNA | |
| SCHEMBL15527920 | 0.90 | ALDH1A1 (0.71) | ALDH1A1CES1CES2DGKALMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0866798-B1 | PREPARATION OF ESTER DERIVATIVES OF STEROIDS | POPULATION COUNCIL INC (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-0866798-A4 | PREPARATION OF ESTER DERIVATIVES OF STEROIDS | POPULATION COUNCIL INC (US) | 1998-12-02 | — | — | EP | disclosed |
| EP-0866798-A1 | PREPARATION OF ESTER DERIVATIVES OF STEROIDS | THE POPULATION COUNCIL, INC. (US) | 1998-09-30 | — | — | EP | disclosed |
| US-5710293-A | ACYLATION OF A NORPROGESTERONE WITH ANHYDRIDE OR ACYL HALIDE, CATALYZED BY PERCHLORIC ACID | THE POPULATION COUNCIL, CENTER FOR BIOMEDICAL RESEARCH (US) | 1998-01-20 | — | — | US | disclosed |
| WO-1997013779-A1 | PREPARATION OF ESTER DERIVATIVES OF STEROIDS | THE POPULATION COUNCIL, INC. (US) | 1997-04-17 | — | — | WO | disclosed |