Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 15/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27743798 | 0.88 | THRB (0.57) | THRBTDP1APEX1PDK2 | |
| SCHEMBL31396310 | 0.86 | THRB (0.59) | THRBTDP1APEX1PDK2 | |
| SCHEMBL524337 | 0.86 | THRB (0.59) | THRBTDP1APEX1PDK2 | |
| Bromomethane SCHEMBL208930 | 0.84 | THRB (0.53) | THRBTDP1APEX1PDK2 | |
| Propanol SCHEMBL27824438 | 0.81 | THRB (0.47) | THRBTDP1APEX1PDK2 | |
| Propanol SCHEMBL27824437 | 0.81 | THRB (0.72) | THRBTDP1APEX1PDK2 | |
| SCHEMBL6187511 | 0.70 | THRB (0.50) | THRBTDP1APEX1PDK2 | |
| SCHEMBL13539403 | 0.70 | TSHR (0.49) | TDP1PDK2 | |
| Bromide SCHEMBL27743787 | 0.69 | THRB (0.57) | THRBTDP1APEX1PDK2 | |
| SCHEMBL3726099 | 0.68 | THRB (0.52) | THRBTDP1APEX1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101980742-A | Inhaler | VECTURA DELIVERY DEVICES LTD (GB) | 2011-02-23 | — | — | CN | disclosed |