Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
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 SCHEMBL6866259 | 0.94 | TP53 (0.58) | TP53MAOAMAOBALDH1A1HPGD | |
| Butane SCHEMBL11798210 | 0.92 | TP53 (0.55) | TP53MAOAMAOBALDH1A1HPGD | |
| Ammonia Solution, Strong SCHEMBL479482 | 0.86 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Iodide SCHEMBL28827008 | 0.86 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Iodide SCHEMBL10910035 | 0.86 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Ammonia Solution, Strong SCHEMBL5761625 | 0.85 | ALDH1A1 (0.65) | MAOAMAOBALDH1A1HPGDALOX15 | |
| Iodide SCHEMBL9705905 | 0.85 | ALDH1A1 (0.65) | MAOAMAOBALDH1A1HPGDALOX15 | |
| Ammonia Solution, Strong SCHEMBL439977 | 0.85 | ALDH1A1 (0.65) | MAOAMAOBALDH1A1HPGDALOX15 | |
| Ammonia Solution, Strong SCHEMBL3183291 | 0.84 | TP53 (0.48) | TP53MAOAMAOBALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8986132 | 0.83 | TP53 (0.52) | TP53MAOAMAOBALDH1A1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6359080-B1 | FOR OUTDOOR DURABLE COATINGS | RESOLUTION PERFORMANCE PRODUCTS LLC | 2002-03-19 | — | — | US | disclosed |
| CN-1330694-A | Epoxy functional polyester resins having increased molecular weight, process for their preparation and outdoor durable coating compositions comprising them | SHELL INT RESEARCH (NL) | 2002-01-09 | — | — | CN | disclosed |
| EP-1151046-A1 | EPOXY FUNCTIONAL POLYESTER RESINS HAVING AN INCREASED MOLECULAR WEIGHT, PROCESS FOR THEIR PREPARATION, AND OUTDOOR DURABLE COATING COMPOSITIONS COMPRISING THEM | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2001-11-07 | — | — | EP | disclosed |
| US-6103835-A | FOR OUTDOOR DURABLE POWDER COATING COMPOSITIONS | SHELL OIL COMPANY (US) | 2000-08-15 | — | — | US | disclosed |
| WO-2000027937-A1 | EPOXY FUNCTIONAL POLYESTER RESINS HAVING AN INCREASED MOLECULAR WEIGHT, PROCESS FOR THEIR PREPARATION, AND OUTDOOR DURABLE COATING COMPOSITIONS COMPRISING THEM | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2000-05-18 | — | — | WO | disclosed |