Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Propanol SCHEMBL10701786 | 1.00 | ALDH1A1 (0.54) | ALDH1A1TSHRSMN1; SMN2DNM1LMNA | |
| Propanol SCHEMBL11490303 | 1.00 | — | — | |
| Propanol SCHEMBL28092962 | 0.96 | — | — | |
| Propylamine SCHEMBL133777 | 0.92 | — | — | |
| Propanol SCHEMBL2322073 | 0.92 | — | — | |
| Propanol SCHEMBL1134197 | 0.92 | ALDH1A1 (0.67) | ALDH1A1TSHRSMN1; SMN2DNM1LMNA | |
| Propylamine SCHEMBL8890385 | 0.88 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2DNM1LMNA | |
| Propanol SCHEMBL1451415 | 0.87 | — | — | |
| Propanol SCHEMBL354266 | 0.87 | — | — | |
| Propanol SCHEMBL232827 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2DNM1LMNA |
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-5917083-A | REACTING AN ISOCYANATE GROUP CONTAINING OXADIAZINETRIONE COMPOUND WITH AN PRIMARY ALCOHOL | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-29 | — | — | US | disclosed |