Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 2/20 | 0.52 |
| ▸ | TYR | P14679 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.51 |
| ▸ | ABAT | P80404 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5792086 | 0.85 | GAA (0.49) | TSHRNPSR1ACHEALDH1A1TDP1 | |
| SCHEMBL12345228 | 0.83 | KDM4E (0.53) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL16865515 | 0.82 | BCHE (0.38) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL26090280 | 0.82 | BCHE (0.38) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL30924863 | 0.80 | TSHR (0.61) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL2506281 | 0.80 | TSHR (0.61) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL11187053 | 0.80 | TSHR (0.57) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL16212030 | 0.79 | TSHR (0.55) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL5072122 | 0.78 | BCHE (0.73) | TSHRCYP3A4BLMNFKB1NPSR1 | |
| SCHEMBL30491037 | 0.78 | BCHE (0.73) | TSHRCYP3A4BLMNFKB1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1719752-A1 | Process for the hydroformylation of substituted allylbenzenes | Celanese Chemicals Europe GmbH (DE) | 2006-11-08 | — | — | EP | disclosed |