Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Dalapon. 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 | |
|---|---|---|---|---|
| Dalapon SCHEMBL9180618 | 0.93 | CA4 (0.41) | — | |
| Dalapon SCHEMBL1043436 | 0.93 | — | — | |
| Dalapon SCHEMBL29512495 | 0.93 | CA4 (0.41) | — | |
| Potassium Ion SCHEMBL7901296 | 0.86 | — | — | |
| SCHEMBL28114675 | 0.79 | — | — | |
| Pivalate SCHEMBL2349136 | 0.77 | — | — | |
| Trichloroacetic Acid SCHEMBL77475 | 0.77 | — | — | |
| SCHEMBL27912772 | 0.76 | — | — | |
| SCHEMBL11806792 | 0.76 | CA4 (0.39) | — | |
| Potassium Ion SCHEMBL31366014 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110396057-B | Method for preparing isocyanate with low chlorine content | 万华化学集团股份有限公司 | 2022-02-18 | — | — | CN | claimed |
| CN-110396057-B | Method for preparing isocyanate with low chlorine content | 万华化学集团股份有限公司 | 2022-02-18 | — | — | CN | disclosed |