Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5209324 | 0.99 | ALDH1A1 (0.35) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL5211519 | 0.99 | ALDH1A1 (0.35) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL5210721 | 0.99 | ALDH1A1 (0.35) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL5206772 | 0.97 | TSHR (0.33) | TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL5205497 | 0.95 | TSHR (0.31) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL5206839 | 0.89 | TSHR (0.31) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL5206388 | 0.87 | — | — | |
| SCHEMBL5206972 | 0.86 | ALDH1A1 (0.32) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL5211547 | 0.86 | — | — | |
| SCHEMBL5204523 | 0.86 | THRB (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1388540-B1 | ACRYLIC ESTERS AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2007-09-05 | — | — | EP | disclosed |
| EP-1388540-A1 | ACRYLIC ESTERS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-02-11 | — | — | EP | disclosed |