Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Cyanate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL6856640 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL15909721 | 0.73 | POLB (0.40) | — | |
| Cyanate SCHEMBL7188364 | 0.73 | KMT2A (0.36) | — | |
| SCHEMBL9012497 | 0.69 | NPSR1 (0.33) | — | |
| SCHEMBL6680682 | 0.69 | KMT2A (0.31) | — | |
| Methacrylic Acid SCHEMBL23174600 | 0.68 | ALDH1A1 (0.33) | — | |
| Methacrylic Acid SCHEMBL565397 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL4154528 | 0.67 | LMNA (0.44) | — | |
| SCHEMBL8054682 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL18449676 | 0.67 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6541658-B2 | Process for synthesis of (meth) acrylic acid esters by transesterification in the presence of mixed catalysts containing alkali metal cyanate or thiocyanate | ROEHM GMBH & CO., KG (DE) | 2003-04-01 | — | — | US | disclosed |