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 2)
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 SCHEMBL7939825 | 1.00 | CHRNA7 (0.32) | CHRNA7CYP1A2 | |
| Bromide SCHEMBL1819719 | 0.76 | — | — | |
| Butane SCHEMBL28376866 | 0.72 | CHRM2 (0.31) | — | |
| SCHEMBL19232832 | 0.71 | CHRNA7 (0.36) | CHRNA7 | |
| SCHEMBL27748 | 0.71 | — | — | |
| Butane SCHEMBL5129860 | 0.71 | TSHR (0.44) | — | |
| Butane SCHEMBL27543855 | 0.71 | — | — | |
| Butane SCHEMBL8463912 | 0.71 | — | — | |
| Butane SCHEMBL9442188 | 0.71 | — | — | |
| Butane SCHEMBL8412888 | 0.71 | TSHR (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927147-A4 | ALKYLATION OF ORGANIC AROMATIC COMPOUNDS USING BETA ZEOLITE CATALYST | CATALYTIC DISTILLATION TECH (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-0927147-A1 | ALKYLATION OF ORGANIC AROMATIC COMPOUNDS USING BETA ZEOLITE CATALYST | Catalytic Distillation Technologies (US) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998009929-A1 | ALKYLATION OF ORGANIC AROMATIC COMPOUNDS USING BETA ZEOLITE CATALYST | CATALYTIC DISTILLATION TECHNOLOGIES (US) | 1998-03-12 | — | — | WO | disclosed |