Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MDH1 | P40925 | 6/20 | 0.36 |
| ▸ | MDH2 | P40926 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9081437 | 0.81 | SHBG (0.61) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL10515698 | 0.80 | SHBG (0.67) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL8768818 | 0.78 | SHBG (0.64) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL8798776 | 0.76 | SHBG (0.61) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL21138351 | 0.76 | SHBG (0.68) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL200171 | 0.76 | SHBG (0.61) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL13591329 | 0.76 | SHBG (0.61) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL31282065 | 0.76 | SHBG (1.00) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL2037077 | 0.76 | SHBG (0.61) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL10141 | 0.76 | SHBG (1.00) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 |
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-2011021257-A1 | METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND | 旭化成ケミカルズ株式会社 (JP) | 2011-02-24 | — | — | WO | disclosed |