Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5205117 | 0.86 | TSHR (0.36) | TSHR | |
| SCHEMBL5206029 | 0.84 | ALDH1A1 (0.35) | SMN1; SMN2TSHRALDH1A1CYP1A2POLB | |
| SCHEMBL5209791 | 0.81 | SMN1; SMN2 (0.33) | SMN1; SMN2ALDH1A1EPHX1 | |
| SCHEMBL5210971 | 0.78 | THRB (0.33) | THRB | |
| SCHEMBL5205453 | 0.78 | — | — | |
| SCHEMBL5205199 | 0.77 | TSHR (0.31) | TSHR | |
| SCHEMBL6601620 | 0.77 | SMN1; SMN2 (0.35) | SMN1; SMN2EPHX1 | |
| SCHEMBL5209638 | 0.76 | — | — | |
| SCHEMBL5205204 | 0.76 | — | — | |
| SCHEMBL5206960 | 0.74 | TSHR (0.32) | TSHRALDH1A1THRB |
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-1388540-B1 | ACRYLIC ESTERS AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-6835844-B2 | Acrylic esters and use thereof | MITSUI CHEMICALS, INC. (JP) | 2004-12-28 | — | — | US | disclosed |
| EP-1388540-A1 | ACRYLIC ESTERS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-02-11 | — | — | EP | disclosed |