Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2553635 | 0.93 | ALDH1A1 (0.54) | ALDH1A1CES2TSHRNAAADGKA | |
| Butane SCHEMBL8058020 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CES2TSHRNAAADGKA | |
| SCHEMBL124892 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CES2TSHRNAAAEPHX1 | |
| SCHEMBL11454255 | 0.84 | CES2 (0.52) | ALDH1A1CES2TSHRNAAAEPHX1 | |
| SCHEMBL6916327 | 0.84 | CES2 (0.52) | ALDH1A1CES2TSHRNAAAEPHX1 | |
| SCHEMBL13858877 | 0.84 | CES2 (0.52) | ALDH1A1CES2TSHRNAAAEPHX1 | |
| SCHEMBL18526280 | 0.84 | CES2 (0.52) | ALDH1A1CES2TSHRNAAAEPHX1 | |
| SCHEMBL5698083 | 0.84 | CES2 (0.52) | ALDH1A1CES2TSHRNAAAEPHX1 | |
| SCHEMBL27569631 | 0.84 | CES2 (0.52) | ALDH1A1CES2TSHRNAAAEPHX1 | |
| SCHEMBL27569494 | 0.84 | CES2 (0.52) | ALDH1A1CES2TSHRNAAAEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001014459-A1 | RADICAL-CURABLE ADHESIVE COMPOSITIONS, REACTION PRODUCTS OF WHICH DEMONSTRATE SUPERIOR RESISTANCE TO THERMAL DEGRADATION | LOCTITE CORPORATION (US) | 2001-03-01 | — | — | WO | disclosed |