Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of 1-Methylimidazole. 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 | |
|---|---|---|---|---|
| 1-Methylimidazole SCHEMBL28280721 | 0.94 | — | — | |
| 1-Methylimidazole SCHEMBL30923440 | 0.94 | — | — | |
| 1-Methylimidazole SCHEMBL20112 | 0.94 | — | — | |
| 1-Methylimidazole SCHEMBL4954973 | 0.94 | — | — | |
| 1-Methylimidazole SCHEMBL9244221 | 0.94 | NFKB1 (1.00) | — | |
| 1-Methylimidazole SCHEMBL35921 | 0.91 | — | — | |
| 1-Methylimidazole SCHEMBL8045610 | 0.91 | NFKB1 (0.94) | — | |
| 1-Methylimidazole SCHEMBL9247157 | 0.91 | NFKB1 (0.94) | — | |
| 1-Methylimidazole SCHEMBL20490673 | 0.91 | — | — | |
| 1-Methylimidazole SCHEMBL7857428 | 0.91 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103702974-B | Amine-initiated polyols from renewable resources, process for their preparation and their use | 拜尔材料科学有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105452317-A | Novel polymer polyols based on natural oil polyols | BAYER MATERIALSCIENCE LLC | 2016-03-30 | — | — | CN | disclosed |
| CN-103702974-A | Amine-initiated polyols from renewable resources, process for their preparation and their use | BAYER MATERIALSCIENCE LLC | 2014-04-02 | — | — | CN | disclosed |