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.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL138215 | 0.91 | THRB (0.41) | KMT2ARAB9ATHRBTSHRCREBBP | |
| SCHEMBL2849107 | 0.83 | KMT2A (0.36) | KMT2ARAB9ATHRBTSHRCREBBP | |
| SCHEMBL16079588 | 0.78 | THRB (0.40) | KMT2ATHRBTSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL18448995 | 0.78 | KMT2A (0.36) | KMT2ARAB9ATHRBTSHRCREBBP | |
| SCHEMBL18448497 | 0.78 | KMT2A (0.36) | KMT2ARAB9ATHRBTSHRCREBBP | |
| SCHEMBL10018739 | 0.77 | ALDH1A1 (0.44) | KMT2ARAB9ACREBBPALDH1A1KDM4E | |
| SCHEMBL14396567 | 0.77 | KMT2A (0.39) | KMT2ARAB9ATSHRCREBBPALDH1A1 | |
| SCHEMBL3173610 | 0.77 | KMT2A (0.47) | KMT2ATHRBTSHRALDH1A1 | |
| SCHEMBL2357207 | 0.75 | RAB9A (0.33) | KMT2ARAB9ACREBBPALDH1A1KDM4E | |
| SCHEMBL4188784 | 0.74 | THRB (0.44) | KMT2ATHRBTSHRALDH1A1LMNA |
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 |