Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL124929 | 1.00 | TSHR (0.52) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL29547475 | 0.98 | TSHR (0.55) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL21409480 | 0.98 | TSHR (0.50) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL28294298 | 0.94 | TSHR (0.47) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Acrylic Acid SCHEMBL28441854 | 0.94 | TSHR (0.47) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Formic Acid SCHEMBL28861141 | 0.94 | TSHR (0.47) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL28223119 | 0.93 | TSHR (0.46) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Isobutane SCHEMBL28175359 | 0.93 | TSHR (0.47) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Phosphoric Acid SCHEMBL27872865 | 0.93 | TSHR (0.46) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Acrylonitrile SCHEMBL29451104 | 0.91 | TSHR (0.44) | TSHRALDH1A1TP53HIF1ACYP3A4 |
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-2021141002-A1 | (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP, AND METHOD FOR PRODUCING SAME | 昭和電工株式会社 | 2021-07-15 | — | — | WO | disclosed |