Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Isobutanol. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL1992818 | 0.97 | TSHR (0.50) | TSHRLMNAALDH1A1SMN1; SMN2MAPT | |
| Isobutanol SCHEMBL1988608 | 0.83 | — | — | |
| Alcohol SCHEMBL1563033 | 0.80 | — | — | |
| Isobutanol SCHEMBL27914538 | 0.80 | TSHR (0.64) | TSHRLMNAALDH1A1SMN1; SMN2MAPT | |
| Hexane SCHEMBL8099313 | 0.80 | TSHR (0.64) | TSHRLMNAALDH1A1SMN1; SMN2MAPT | |
| Hexane SCHEMBL4203459 | 0.80 | TSHR (0.64) | TSHRLMNAALDH1A1SMN1; SMN2MAPT | |
| Heptane SCHEMBL11043045 | 0.77 | TSHR (0.60) | TSHRLMNAALDH1A1SMN1; SMN2MAPT | |
| Octane SCHEMBL27973378 | 0.77 | TSHR (0.60) | TSHRLMNAALDH1A1SMN1; SMN2MAPT | |
| Alcohol SCHEMBL5509978 | 0.77 | — | — | |
| Decane SCHEMBL5449023 | 0.77 | TSHR (0.60) | TSHRLMNAALDH1A1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5712297-A | COGNITION ACTIVATORS; ALZHEIMER*S DISEASE | NOVO NORDISK A/S (DK) | 1998-01-27 | — | — | US | disclosed |