Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 SCHEMBL17460145 | 0.88 | TSHR (0.44) | TSHRALDH1A1LMNACES2CES1 | |
| Butane SCHEMBL22813 | 0.88 | — | — | |
| Butane SCHEMBL9400770 | 0.82 | — | — | |
| Butane SCHEMBL8078516 | 0.82 | — | — | |
| Butane SCHEMBL2876138 | 0.82 | — | — | |
| Butane SCHEMBL5129860 | 0.82 | TSHR (0.44) | TSHRALDH1A1LMNATHRB | |
| Butane SCHEMBL28385265 | 0.82 | TSHR (0.44) | TSHRALDH1A1LMNATHRB | |
| Butane SCHEMBL9442188 | 0.82 | — | — | |
| Butane SCHEMBL8412888 | 0.82 | TSHR (0.44) | TSHRALDH1A1LMNATHRB | |
| Butane SCHEMBL8463912 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0783482-B1 | CATIONIC TRANSPORT REAGENTS | UNIV CALIFORNIA (US) | 2003-07-30 | — | — | EP | disclosed |