Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Propanol. 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL28112461 | 0.92 | — | — | |
| Propanol SCHEMBL2482494 | 0.92 | ALDH1A1 (0.41) | — | |
| Propanol SCHEMBL29968655 | 0.89 | ALDH1A1 (0.39) | — | |
| Propanol SCHEMBL16762189 | 0.89 | ALDH1A1 (0.39) | — | |
| Propanol SCHEMBL11326667 | 0.89 | ALDH1A1 (0.39) | — | |
| Potassium Ion SCHEMBL7277 | 0.83 | — | — | |
| Alcohol SCHEMBL21808180 | 0.80 | ALDH1A1 (0.50) | — | |
| Alcohol SCHEMBL28202541 | 0.80 | ALDH1A1 (0.50) | — | |
| Propanol SCHEMBL28673986 | 0.80 | ALDH1A1 (0.44) | — | |
| Propanol SCHEMBL6734178 | 0.79 | — | — |
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-109734593-A | A kind of preparation method of 3- propoxyl group propyl propionate | 韶关市合众化工有限公司 | 2019-05-10 | — | — | CN | claimed |
| CN-109734593-A | A kind of preparation method of 3- propoxyl group propyl propionate | 韶关市合众化工有限公司 | 2019-05-10 | — | — | CN | disclosed |