Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 1.00 |
| ▸ | MAPT | P10636 | 7/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 6/20 | 1.00 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.74 |
| ▸ | APP | P05067 | 4/20 | 0.71 |
| ▸ | SNCA | P37840 | 4/20 | 0.71 |
| ▸ | RBP4 | P02753 | 4/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.71 |
| ▸ | USP2 | O75604 | 1/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.70 |
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 | |
|---|---|---|---|---|
| Gilretinol Acetate SCHEMBL14204855 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL3332545 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL7705148 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Zuretinol Acetate SCHEMBL1173917 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL28272980 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL21588 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL21589 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL1363443 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL22636388 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 | |
| Gilretinol Acetate SCHEMBL10928186 | 0.99 | ALDH1A1 (0.98) | ALDH1A1MAPTCYP3A4SLCO1B3SLCO1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1031561-B1 | Manufacture of cycloalkenylpolyene esters | HOFFMANN LA ROCHE (CH) | 2003-05-14 | — | — | EP | disclosed |
| US-6215009-B1 | RETINYL ACYLATE PRODUCTION BY DEHYDROXYLATION, REDUCTION, OR DEESTERIFICATION; REACTING CHEMICAL INTERMEDIATE WITH ACID ANHYDRIDE OR SULFUR TRIOXIDE COMPLEX IN DIMETHYLFORMAMIDE | ROCHE VITAMINS INC. | 2001-04-10 | — | — | US | disclosed |
| EP-1031561-A1 | Manufacture of cycloalkenylpolyene esters | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-30 | — | — | EP | disclosed |