Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL1329645 | 1.00 | FFAR3 (0.54) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL2650732 | 1.00 | FFAR3 (0.54) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL28409881 | 1.00 | FFAR3 (0.54) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL29197512 | 1.00 | FFAR3 (0.54) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL1716773 | 1.00 | — | — | |
| Butane SCHEMBL1165212 | 1.00 | FFAR3 (0.54) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL28896048 | 1.00 | FFAR3 (0.54) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL40275 | 1.00 | FFAR3 (0.54) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL4012929 | 0.95 | FFAR3 (0.50) | FFAR3HDAC1HDAC2HDAC3HDAC8 | |
| Butane SCHEMBL9235538 | 0.95 | FFAR3 (0.50) | FFAR3HDAC1HDAC2HDAC3HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020022785-A1 | NOVEL AUTOPHAGY-TARGETING CHIMERA (AUTOTAC) COMPOUND, AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING DISEASES THROUGH TARGET PROTEIN DEGRADATION COMPRISING SAME | 주식회사 프로텍바이오 | 2020-01-30 | — | — | WO | disclosed |